SCHEMBL9740835

SCHEMBL9740835

COc1cc2c(cc1OC)NC(=O)CC=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 5/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL9740885 0.77 HPGD (0.34) TSHRKMT2ATP53GAAMAPK1
SCHEMBL5143534 0.72 BRD4 (0.36) TSHRKMT2AGAATUBB4ATUBB
SCHEMBL3903265 0.69 CYP3A4 (0.50) GAAMAPK1TUBB4ATUBBTUBA3C
SCHEMBL578508 0.68 SRC (0.57) TSHRKMT2ATP53GAACCNB2
SCHEMBL12717984 0.68 BRD4 (0.54) KMT2AGAATUBB4ATUBBTUBA3C
SCHEMBL16339494 0.67 CYP11B1 (0.57) TSHRKMT2ATP53GAAL3MBTL1
SCHEMBL10421507 0.67 PLCG1 (0.49) TSHRKMT2ATP53GAAMAPK1
SCHEMBL9739275 0.66
SCHEMBL29591948 0.66 MAPT (0.52) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1247901 0.66 MAPT (0.52) TSHRKMT2AGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221297-B1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES RICHTER GEDEON NYRT (HU) 2018-08-22 EP claimed
EP-3221297-A1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES Richter Gedeon Nyrt. (HU) 2017-09-27 EP claimed
WO-2016079684-A1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-05-26 WO claimed
WO-2019202611-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS METROCHEM API PVT (IN) 2019-10-24 WO disclosed
EP-3221297-B1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES RICHTER GEDEON NYRT (HU) 2018-08-22 EP disclosed
EP-3221297-A1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES Richter Gedeon Nyrt. (HU) 2017-09-27 EP disclosed
EP-3221297-A1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES Richter Gedeon Nyrt. (HU) 2017-09-27 EP disclosed
WO-2016079684-A1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-05-26 WO disclosed
WO-2016079684-A1 PROCESS FOR THE SYNTHESIS OF BENZAZEPINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-05-26 WO disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed