SCHEMBL29639348

SCHEMBL29639348

NC(=S)Nc1cc(Cl)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.68
EPHX1 P07099 2/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
GAA P10253 4/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 3/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45

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
SCHEMBL2588962 1.00 IDO1 (0.68) IDO1EPHX1MEN1KMT2APOLB
SCHEMBL653172 0.84 ALDH1A1 (0.61) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL29639365 0.84 ALDH1A1 (0.61) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL11140578 0.83 IDO1 (0.66) IDO1EPHX1MEN1KMT2APOLB
SCHEMBL7114040 0.82 KCNMA1 (0.54) IDO1MEN1KMT2APOLBGAA
SCHEMBL4196937 0.81 IDO1 (0.46) IDO1EPHX1MEN1KMT2APOLB
SCHEMBL2243625 0.81 GAA (0.70) POLBGAAALDH1A1LMNAMAPT
SCHEMBL29860473 0.81 L3MBTL1 (0.56) IDO1EPHX1MEN1KMT2APOLB
SCHEMBL21591656 0.81 IDO1 (0.46) IDO1EPHX1MEN1KMT2AGAA
SCHEMBL30311624 0.81 L3MBTL1 (0.47) IDO1EPHX1MEN1KMT2AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114432901-B Composite membrane with acid resistance and alkali resistance as well as preparation method and application thereof 中国石油化工股份有限公司 2023-04-11 CN claimed
CN-114432901-A Composite membrane with acid resistance and alkali resistance as well as preparation method and application thereof 中国石油化工股份有限公司 2022-05-06 CN claimed
CN-114249702-B N-aryl- [2,4 '-dithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2023-09-05 CN disclosed
CN-114432901-B Composite membrane with acid resistance and alkali resistance as well as preparation method and application thereof 中国石油化工股份有限公司 2023-04-11 CN disclosed
CN-114432901-A Composite membrane with acid resistance and alkali resistance as well as preparation method and application thereof 中国石油化工股份有限公司 2022-05-06 CN disclosed
CN-114249702-A N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2022-03-29 CN disclosed