SCHEMBL7476050

SCHEMBL7476050

Nc1cccc(CN2CCc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
USP2 O75604 1/20 0.53
CDK4 P11802 1/20 0.53
ALOX15 P16050 1/20 0.53
CCND1 P24385 1/20 0.53
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 1/20 0.45
BRD4 O60885 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPM5 Q9NZQ8 1/20 0.43

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
SCHEMBL15511907 0.88 SLC22A12 (0.42) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL11013870 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL10640709 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29875634 0.82 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29558 0.82 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29572414 0.82 BRD4 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL19428145 0.82 BRD4 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7476041 0.80 ALOX5 (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL2001003 0.80 ACHE (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL15958976 0.79 ALOX5 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
CN-1335850-A Quinoline derivatives SMITHKLINE BEECHMA PLC (GB) 2002-02-13 CN disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed