SCHEMBL11316655

SCHEMBL11316655

CC(=O)Nc1cccc(N)c1C.c1cc2cc(c1)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CASP3 P42574 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5285258 0.89 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL11309809 0.84 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10HDAC1
SCHEMBL11310907 0.83 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL11318322 0.81 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4EHSD17B10HDAC1
SCHEMBL11291980 0.77 NPC1 (0.57) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL11320415 0.77 NPC1 (0.53) ALDH1A1KDM4EHSD17B10CASP3NPC1
SCHEMBL14817806 0.76 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL9400517 0.74 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL28176482 0.73 HDAC3 (0.49) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL5516360 0.73 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10CASP3

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-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed