SCHEMBL11599596

SCHEMBL11599596

CCN1C(=O)c2ccc(S(=O)(=O)c3ccccc3)c3cccc1c23

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.63
ALDH1A1 P00352 3/20 0.63
PKM P14618 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
RORC P51449 3/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL11601731 0.90 BRD4 (0.62) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11599528 0.86 BRD4 (0.64) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11213051 0.84 BRD4 (0.65) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11601545 0.84 BRD4 (0.56) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11601951 0.83 BRD4 (0.67) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL9290447 0.83 BRD4 (0.55) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11599450 0.81 ALDH1A1 (0.47) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL9450615 0.79 BRD4 (0.73) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11600211 0.79 BRD4 (0.64) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL11601461 0.78 BRD4 (0.58) BRD4ALDH1A1PKMSMN1; SMN2MEN1

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-RE29834-E PREPARED FROM 4-SULFONYL-1,8-NAPHTHOLACTAMS BAYER AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-3959310-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed