SCHEMBL28759378

SCHEMBL28759378

C=CC(=O)NOC(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MYC P01106 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ADRB2 P07550 2/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ GSTO1 P78417 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ERCC5 P28715 1/20 0.39
▸ FEN1 P39748 1/20 0.39

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
SCHEMBL28842278 0.82 LMNA (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28034022 0.78 NPC1 (0.50) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL27653304 0.76 KMT2A (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL27488418 0.75 MEN1 (0.49) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7763213 0.75 KMT2A (0.46) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL28748022 0.75 ALDH1A1 (0.66) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL30827182 0.75 AKT1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8844053 0.75 AKT1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28159745 0.75 KMT2A (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6754597 0.75 NPC1 (0.44) NPC1RAB9AMEN1KMT2AESR1

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
CN-100347233-C Irradiant polymer/nanometer sulfide composite material and its preparation UNIV SOOCHOW (CN) 2007-11-07 — — CN disclosed
CN-1766032-A Irradiant polymer/nanometer sulfide composite material and its preparation UNIV SOOCHOW (CN) 2006-05-03 — — CN disclosed
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