SCHEMBL6341807

SCHEMBL6341807

CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.41
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MAPT P10636 2/20 0.38
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP13 P45452 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.36
ALPL P05186 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6350295 0.92 MEN1 (0.42) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6344918 0.91 MEN1 (0.42) MEN1KMT2APOLBMAPTHTT
SCHEMBL6339452 0.90 MEN1 (0.42) MEN1KMT2APOLBMAPT
SCHEMBL6339035 0.90 MEN1 (0.51) MEN1KMT2APOLBMAPTCREBBP
SCHEMBL5655925 0.88 RARB (0.49) MEN1KMT2AMAPT
SCHEMBL6351869 0.87 MEN1 (0.38) MEN1KMT2APOLBMAPTMMP13
SCHEMBL6341743 0.86 MEN1 (0.40) MEN1KMT2APOLBMAPTMMP13
SCHEMBL6344077 0.86 CREBBP (0.41) MEN1KMT2AMAPTCREBBPMMP13
SCHEMBL27520919 0.85 RXRA (0.41) KMT2ARXRARXRBMAPTALDH1A1
Hydrochloric Acid SCHEMBL5209357 0.84 RXRA (0.40) KMT2ARXRARXRBMAPTALDH1A1

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