SCHEMBL11601951

SCHEMBL11601951

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.67
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
ATM Q13315 1/20 0.58
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL29437286 0.95 BRD4 (0.75) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL16862798 0.95 BRD4 (0.75) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL11213051 0.88 BRD4 (0.65) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL11599596 0.83 BRD4 (0.63) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL9450615 0.82 BRD4 (0.73) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL11599528 0.82 BRD4 (0.64) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL11600211 0.82 BRD4 (0.64) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL11601461 0.81 BRD4 (0.58) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL11601731 0.81 BRD4 (0.62) BRD4ALDH1A1MEN1MAPTPKM
SCHEMBL14527675 0.81 BRD4 (0.71) BRD4ALDH1A1MEN1MAPTPKM

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