SCHEMBL11140695

SCHEMBL11140695

Cc1cc(=O)[nH]c2c(C)c(N)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
GAA P10253 4/20 1.00
GLA P06280 3/20 1.00
ALDH1A1 P00352 3/20 1.00
HPGD P15428 3/20 1.00
HSD17B10 Q99714 2/20 1.00
MAPT P10636 2/20 0.65
NQO2 P16083 6/20 0.55
CYP19A1 P11511 4/20 0.55
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TNKS2 Q9H2K2 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL31365385 0.83 KDM4E (0.71) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL26607754 0.83 KDM4E (0.71) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL26607762 0.80 KDM4E (0.67) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL4814287 0.79 MAPT (1.00) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL8066122 0.79 KDM4E (0.65) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL14892531 0.73 KDM4E (0.57) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL19667052 0.72 NQO2 (0.67) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL14726207 0.72 KDM4E (0.56) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL4043163 0.71 KDM4E (0.56) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL8030947 0.71 ALDH1A1 (0.55) KDM4EGAAGLAALDH1A1HPGD

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
US-4400507-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1983-08-23 US disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4262120-A YELLOW TO ORANGE SHADES OF GOOD FASTNESS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed