SCHEMBL6350658

SCHEMBL6350658

COC(=O)C1=C(O)c2cc(Br)ccc2N(S(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
TP53 P04637 2/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 2/20 0.43

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
SCHEMBL1495920 0.85 MAPT (0.50) MAPTTP53CYP2C9POLB
SCHEMBL4868711 0.78 MAPT (0.43) MAPTTP53CYP2C9POLB
SCHEMBL31259600 0.76 CYP2C9 (0.48) MAPTTP53CYP2C9POLB
SCHEMBL1495972 0.75 KMT2A (0.47) MAPTTP53
SCHEMBL26005660 0.74 MAPT (0.63) MAPTTP53POLB
SCHEMBL13273471 0.73 KCNN4 (0.51) MAPTCYP2C9POLB
SCHEMBL13302143 0.71 MAPT (0.54) MAPTPOLB
SCHEMBL16794469 0.71 HTR6 (0.50) MAPTTP53POLB
SCHEMBL29676616 0.71 HTR6 (0.50) MAPTTP53POLB
SCHEMBL6339486 0.71 MAPT (0.48) MAPTTP53CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed