SCHEMBL8366716

SCHEMBL8366716

COC(=O)c1cc(-c2ccc(OC)cc2)n(Cc2ccc(C)c(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SMPD1 P17405 1/20 0.46
▸ NPBWR1 P48145 1/20 0.45
▸ MALT1 Q9UDY8 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RPA1 P27694 3/20 0.43
▸ SLC16A3 O15427 1/20 0.43
▸ SLC16A1 P53985 1/20 0.43

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
SCHEMBL8364849 0.91 RPA1 (0.53) SMN1; SMN2ALDH1A1CYP1A2CYP2C19SMPD1
SCHEMBL8369821 0.91 HDAC3 (0.49) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MALT1
SCHEMBL8369156 0.90 NPBWR1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C19SMPD1
SCHEMBL8369155 0.90 RPA1 (0.54) ALDH1A1SMPD1NPBWR1MALT1RPA1
SCHEMBL8369823 0.89 NPBWR1 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP2C19SMPD1
Hydrochloric Acid SCHEMBL8369158 0.89 RPA1 (0.53) ALDH1A1SMPD1NPBWR1MALT1RPA1
SCHEMBL8367190 0.89 MEN1 (0.53) SMN1; SMN2ALDH1A1CYP1A2CYP2C19SMPD1
SCHEMBL8366684 0.89 MEN1 (0.53) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL8366421 0.88 NOTUM (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MALT1
SCHEMBL8369228 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP1A2CYP2C19SMPD1

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
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 — — US disclosed
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