SCHEMBL14044194

SCHEMBL14044194

COc1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccccc2)C4=O)c(C)cc1N(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ USP2 O75604 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NR1H3 Q13133 2/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL14044192 0.91 RAB9A (0.47) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL14044193 0.90 ESR1 (0.48) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL14044195 0.89 KMT2A (0.40) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL14044197 0.87 ALDH1A1 (0.47) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL14044196 0.87 KMT2A (0.46) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL14110195 0.84 ESR1 (0.46) ALDH1A1KMT2AMEN1USP2GAA
SCHEMBL14016781 0.79 ALDH1A1 (0.48) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL14085582 0.77 KMT2A (0.49) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL14016790 0.76 ALDH1A1 (0.51) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL20735130 0.70 ALDH1A1 (0.59) ALDH1A1POLBKMT2AMEN1USP2

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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