SCHEMBL29416535

SCHEMBL29416535

C=CC(=O)Nc1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.55
▸ HDAC1 Q13547 14/20 0.55
▸ HDAC2 Q92769 13/20 0.55
▸ HDAC3 O15379 8/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NCOR2 Q9Y618 3/20 0.51
▸ HDAC10 Q969S8 3/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ PTPN1 P18031 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL2316517 1.00 TGM2 (0.55) TGM2HDAC1HDAC2HDAC3MAPK1
Hydrochloric Acid SCHEMBL29278808 0.98 TGM2 (0.53) TGM2HDAC1HDAC2HDAC3MAPK1
SCHEMBL31228347 0.86 TGM2 (0.65) TGM2PTPN1PTPN11
SCHEMBL613090 0.86 TGM2 (0.65) TGM2PTPN1PTPN11
SCHEMBL16096123 0.85 TGM2 (0.47) TGM2HDAC1HDAC2HDAC3MAPK1
SCHEMBL9132645 0.82 HDAC1 (0.56) HDAC1HDAC2HDAC3MAPK1NCOR2
SCHEMBL10024764 0.82 PTPN1 (0.51) TGM2PTPN1PTPN11NPC1RAB9A
SCHEMBL23653363 0.81 TGM2 (0.55) TGM2PTPN1PTPN11
SCHEMBL1379801 0.81 ALDH1A1 (0.64) TGM2PTPN1PTPN11NPC1RAB9A
SCHEMBL12965010 0.80 HDAC3 (0.50) HDAC1HDAC2HDAC3MAPK1NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021906-A4 N-(2-AMINOPHENYL)-PROP-2-ENAMIDE DERIVATIVES, AND USES THEREOF IN THE TREATMENT OF CANCER National University of Singapore (SG) 2024-02-07 — — EP disclosed
CN-114106407-B Blood perfusion adsorbent and preparation method thereof 泉州师范学院 2023-09-29 — — CN disclosed
WO-2023143402-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 珂阑(上海)医药科技有限公司 2023-08-03 — — WO disclosed
CN-111918881-B Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2022-08-12 — — CN disclosed
CN-114106407-A Blood perfusion adsorbent and preparation method thereof 泉州师范学院 2022-03-01 — — CN disclosed
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