SCHEMBL16229403

SCHEMBL16229403

COc1ccccc1C(=O)Nc1[nH]cc(-c2ccccc2C)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 5/20 0.48
NPC1 O15118 5/20 0.48
MEN1 O00255 3/20 0.48
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.45
RXFP1 Q9HBX9 2/20 0.43
CASP3 P42574 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL16229401 0.79 ALDH1A1 (0.48) ALDH1A1LMNAKMT2ANPC1MEN1
SCHEMBL16230490 0.79 ALDH1A1 (0.48) ALDH1A1LMNAKMT2ANPC1MEN1
SCHEMBL3033714 0.76 RXFP1 (0.53) ALDH1A1LMNAKMT2AMEN1KCNK3
SCHEMBL16229440 0.74 TP53 (0.60) ALDH1A1LMNAKMT2ANPC1MEN1
SCHEMBL21870134 0.68 KCNK3 (0.68) KMT2ANPC1MEN1KCNK3KCNK9
SCHEMBL12700389 0.67 MAPT (0.65) ALDH1A1LMNAKMT2ANPC1MEN1
SCHEMBL183830 0.66 KCNMA1 (0.68) ALDH1A1LMNAKMT2ANPC1MEN1
SCHEMBL3284934 0.65 KMT2A (0.96) ALDH1A1LMNAKMT2ANPC1MEN1
SCHEMBL9888796 0.65 GAA (0.47) ALDH1A1KMT2ANPC1MEN1RAB9A
SCHEMBL2721612 0.65 MAPT (0.73) ALDH1A1LMNAKMT2ANPC1MEN1

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-8883050-B2 Curable colored compositions, color filters and processes for preparing them, liquid crystal display devices, solid-state image sensors, and dye compounds FUJIFILM CORPORATION (JP) 2014-11-11 US disclosed
US-8883050-B2 Curable colored compositions, color filters and processes for preparing them, liquid crystal display devices, solid-state image sensors, and dye compounds FUJIFILM CORPORATION (JP) 2014-11-11 US disclosed