SCHEMBL6339486

SCHEMBL6339486

CCOC(=O)C1=Cc2cc(Br)ccc2N(S(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7714538 0.86 KMT2A (0.48) MAPTKDM4ELMNATSHRL3MBTL1
SCHEMBL5212025 0.83 MAPT (0.36) MAPTLMNAALDH1A1
SCHEMBL31259600 0.82 CYP2C9 (0.48) MAPTTSHRKMT2ATP53ALDH1A1
SCHEMBL6341415 0.81 MEN1 (0.44) MAPTKDM4ELMNATSHRL3MBTL1
SCHEMBL7543301 0.80 GABRG2 (0.43) LMNAKMT2AALDH1A1
SCHEMBL31259518 0.78 MAPT (0.47) MAPTKMT2ATP53POLBCYP2C9
SCHEMBL7544590 0.77 RARA (0.41) MAPTKDM4ELMNAL3MBTL1KMT2A
SCHEMBL7547077 0.77 ALDH1A1 (0.40) MAPTKDM4ELMNAL3MBTL1KMT2A
SCHEMBL5209508 0.77 GABRG2 (0.37) LMNAKMT2AALDH1A1
SCHEMBL5240927 0.75 MAPT (0.36) MAPTKDM4ELMNATSHRL3MBTL1

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