SCHEMBL1246711

SCHEMBL1246711

NCCNCCOC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA6 P23280 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA5B Q9Y2D0 5/20 0.46
MEN1 O00255 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA5A P35218 4/20 0.43
ALOX15 P16050 4/20 0.43
CA3 P07451 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CA1 P00915 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23045236 0.91 LMNA (0.46) LMNAALOX15CHRM2CHRM4CHRM5
SCHEMBL18116052 0.86 LMNA (0.41) CA12CA6CA7CA9CA14
SCHEMBL10947237 0.84 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL28980314 0.83 CHRM2 (0.38) LMNAALOX15ALDH1A1KDM4ECHRM2
SCHEMBL9232812 0.82 CHRNB2 (0.42) CA12CA6CA7CA9CA14
SCHEMBL1135115 0.82 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL14445313 0.82 TSHR (0.40) LMNAALOX15ALDH1A1KDM4ECHRM2
SCHEMBL29025306 0.81 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL27195634 0.81 MAOA (0.52) CA12CA6CA7CA9CA14
SCHEMBL5247574 0.81 ACHE (0.47) LMNAALOX15ALDH1A1KDM4ECHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461896-B Waterborne polyurethane resin and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN claimed
CN-113461896-A Novel waterborne polyurethane resin and preparation method and application thereof 万华化学集团股份有限公司 2021-10-01 CN claimed
CN-110944980-B Process for preparing higher ethyleneamines or urea derivatives thereof 诺力昂化学品国际有限公司 2024-01-19 CN disclosed
CN-110891943-B Method for producing mixtures of linear and non-linear ethyleneamines 诺力昂化学品国际有限公司 2023-09-22 CN disclosed
CN-110959004-B Process for preparing ethyleneamines and ethyleneamine derivatives 诺力昂化学品国际有限公司 2023-09-12 CN disclosed
US-11583608-B2 Wound dressings, methods of using the same and methods of forming the same NOVAN, INC. (US) 2023-02-21 US disclosed
CN-113461896-B Waterborne polyurethane resin and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-114040781-A Formulation of conjugate of TUBULYSIN derivative and cell binding molecule 杭州多禧生物科技有限公司 2022-02-11 CN disclosed
CN-113461896-A Novel waterborne polyurethane resin and preparation method and application thereof 万华化学集团股份有限公司 2021-10-01 CN disclosed
CN-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 CN disclosed
CN-112236161-A Modulators of G protein-coupled receptors 卡莫特治疗学股份有限公司 2021-01-15 CN disclosed
EP-2467173-B1 WOUND DRESSINGS, METHODS OF USING THE SAME AND METHODS OF FORMING THE SAME NOVAN INC (US) 2019-04-24 EP disclosed
CN-108713012-A Process for preparing higher ethyleneamines and ethyleneamine derivatives 阿克苏诺贝尔化学品国际有限公司 2018-10-26 CN disclosed
CN-108602752-A Process for preparing higher ethyleneamines and ethyleneamine derivatives 阿克苏诺贝尔化学品国际有限公司 2018-09-28 CN disclosed
CN-108602788-A Process for preparing higher ethyleneamines and ethyleneamine derivatives 阿克苏诺贝尔化学品国际有限公司 2018-09-28 CN disclosed
US-20180214598-A1 WOUND DRESSINGS, METHODS OF USING THE SAME AND METHODS OF FORMING THE SAME LIGAND PHARMACEUTICALS INCORPORATED 2018-08-02 US disclosed
US-9919072-B2 Wound dressings, methods of using the same and methods of forming the same NOVAN, INC. (US) 2018-03-20 US disclosed
EP-2467173-A2 WOUND DRESSINGS, METHODS OF USING THE SAME AND METHODS OF FORMING THE SAME Novan, Inc. (US) 2012-06-27 EP disclosed
US-20120136323-A1 Wound Dressings, Methods of Using the Same and Methods of Forming the Same LIGAND PHARMACEUTICALS INCORPORATED 2012-05-31 US disclosed
WO-2011022680-A2 WOUND DRESSINGS, METHODS OF USING THE SAME AND METHODS OF FORMING THE SAME NOVAN, INC. (US) 2011-02-24 WO disclosed