SCHEMBL14044192

SCHEMBL14044192

COc1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)cc2)C4=O)c(C)cc1N(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CA9 Q16790 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ NR1H3 Q13133 2/20 0.38
▸ NR1H2 P55055 1/20 0.38

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
SCHEMBL14044193 0.92 ESR1 (0.48) RAB9AMEN1KMT2AALDH1A1ESR1
SCHEMBL14044195 0.91 KMT2A (0.40) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL14044194 0.91 ALDH1A1 (0.45) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL14044197 0.89 ALDH1A1 (0.47) RAB9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL14110195 0.84 ESR1 (0.46) MEN1KMT2AALDH1A1TSHRCASP1
SCHEMBL14016794 0.79 ALDH1A1 (0.48) RAB9AMEN1KMT2ACA9ALDH1A1
SCHEMBL14044196 0.77 KMT2A (0.46) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL13400250 0.76 RAB9A (0.60) RAB9AMEN1KMT2ACA9ALDH1A1
SCHEMBL11990862 0.72 ALDH1A1 (0.70) RAB9AMEN1KMT2ACA9ALDH1A1
SCHEMBL12341700 0.72 ESR1 (0.63) RAB9AMEN1KMT2AALDH1A1NPC1

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-7432029-B2 Electrophotographic photoreceptor containing asymmetrical naphthalenetetracarboxylic acid diimide derivatives and electrophotographic imaging apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-10-07 — — US disclosed
US-7413836-B2 Electrophotographic photoreceptor containing asymmetrical naphthalenetetracarboxylic acid diimide derivative as electron transporting material in a charge generating layer and electrophotographic image forming apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-08-19 — — US disclosed
Send feedback