SCHEMBL6344918

SCHEMBL6344918

CCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
CCR5 P51681 11/20 0.38
CCR2 P41597 2/20 0.38
CCR3 P51677 1/20 0.38
CCR4 P51679 1/20 0.38
CCR7 P32248 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6339452 0.95 MEN1 (0.42) MEN1KMT2ARARBRARACCR5
SCHEMBL5655925 0.93 RARB (0.49) MEN1KMT2ARARBRARACCR5
SCHEMBL6350295 0.91 MEN1 (0.42) MEN1KMT2ARARBRARACCR5
SCHEMBL6341807 0.91 MEN1 (0.50) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL6342677 0.91 MEN1 (0.43) MEN1KMT2ACCR5CCR2CCR3
SCHEMBL6341743 0.88 MEN1 (0.40) MEN1KMT2ARARBCCR5CCR2
SCHEMBL6351869 0.87 MEN1 (0.38) MEN1KMT2ACCR5CCR2CCR3
SCHEMBL6340409 0.86 MEN1 (0.42) MEN1KMT2ACCR5CCR2CCR3
SCHEMBL6341107 0.84 RARB (0.40) RARBRARACCR5CCR2CCR3
SCHEMBL5654441 0.84 CCR5 (0.45) MEN1KMT2ARARBRARACCR5

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