SCHEMBL14044193

SCHEMBL14044193

COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cc(OC)c(N(O)O)cc2C)C4=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.48
▸ KMT2A Q03164 8/20 0.44
▸ MEN1 O00255 7/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NR1H3 Q13133 1/20 0.40
▸ APAF1 O14727 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MET P08581 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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 0.92 RAB9A (0.47) ESR1KMT2AMEN1ALDH1A1HTT
SCHEMBL14044195 0.90 KMT2A (0.40) ESR1KMT2AMEN1ALDH1A1HTT
SCHEMBL14044194 0.90 ALDH1A1 (0.45) ESR1KMT2AMEN1ALDH1A1HTT
SCHEMBL14110195 0.90 ESR1 (0.46) ESR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL14044197 0.88 ALDH1A1 (0.47) ESR1KMT2AMEN1ALDH1A1HTT
SCHEMBL14044196 0.76 KMT2A (0.46) ESR1KMT2AMEN1ALDH1A1HTT
SCHEMBL12639210 0.76 ESR1 (0.66) ESR1KMT2AMEN1ALDH1A1NR1H3
SCHEMBL14016764 0.75 ESR1 (0.48) ESR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL12341700 0.73 ESR1 (0.63) ESR1KMT2AMEN1ALDH1A1NR1H3
SCHEMBL14016790 0.72 ALDH1A1 (0.51) ESR1KMT2AMEN1ALDH1A1HTT

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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