SCHEMBL28139485

SCHEMBL28139485

COCOc1cccc(NC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ AHR P35869 1/20 0.59
▸ FYN P06241 1/20 0.59
▸ MTNR1A P48039 1/20 0.56
▸ MTNR1B P49286 1/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TSHR P16473 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NR4A1 P22736 1/20 0.51

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
SCHEMBL38660069 1.00 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1AHRFYN
SCHEMBL11546092 0.85 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1AHRMTNR1A
SCHEMBL10264545 0.84 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1AHRMEN1
SCHEMBL13978380 0.84 RAB9A (0.67) SMN1; SMN2RAB9ANPC1AHRMTNR1A
SCHEMBL5357024 0.84 LMNA (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL14026887 0.84 HTT (0.63) SMN1; SMN2RAB9ANPC1AHRMEN1
SCHEMBL10755249 0.83 NPC1 (0.74) SMN1; SMN2RAB9ANPC1AHRMTNR1A
SCHEMBL4727210 0.83 KMT2A (0.67) SMN1; SMN2RAB9ANPC1AHRMTNR1A
SCHEMBL9504353 0.83 RAB9A (0.65) SMN1; SMN2RAB9ANPC1AHRMTNR1A
SCHEMBL29875454 0.82 MTNR1A (0.79) SMN1; SMN2RAB9ANPC1MTNR1AMTNR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660991-A Antiproliferative compounds and methods of use thereof 细胞基因公司 2017-05-10 — — CN disclosed
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