SCHEMBL14044195

SCHEMBL14044195

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BRD1 O95696 1/20 0.35
▸ TAF1 P21675 1/20 0.35
▸ BRPF1 P55201 1/20 0.35

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
SCHEMBL14044192 0.91 RAB9A (0.47) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL14044193 0.90 ESR1 (0.48) KMT2AMEN1RAB9AALDH1A1APAF1
SCHEMBL14044194 0.89 ALDH1A1 (0.45) KMT2AMEN1RAB9AUSP2NPC1
SCHEMBL14044197 0.87 ALDH1A1 (0.47) KMT2AMEN1RAB9AUSP2ALDH1A1
SCHEMBL14110195 0.82 ESR1 (0.46) KMT2AMEN1USP2ALDH1A1ESR1
SCHEMBL14044196 0.76 KMT2A (0.46) KMT2AMEN1RAB9AUSP2NPC1
SCHEMBL22203806 0.71 MEN1 (0.70) KMT2AMEN1RAB9AUSP2NPC1
SCHEMBL14016794 0.70 ALDH1A1 (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL14016781 0.68 ALDH1A1 (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL20735081 0.68 RAB9A (0.56) KMT2AMEN1RAB9AALDH1A1APAF1

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
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