SCHEMBL8368115

SCHEMBL8368115

COc1ccc(Cn2nc(C(=O)O)cc2-c2ccc(Cl)c(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 5/20 0.55
▸ MARS1 P56192 4/20 0.50
▸ CNR2 P34972 4/20 0.47
▸ CNR1 P21554 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 1/20 0.45

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
SCHEMBL8369228 0.90 SMN1; SMN2 (0.52) RPA1CNR2CNR1MEN1KMT2A
SCHEMBL5902998 0.89 CNR2 (0.57) RPA1MARS1CNR2CNR1SMN1; SMN2
SCHEMBL8369155 0.88 RPA1 (0.54) RPA1MARS1ALDH1A1KDM4EGAA
SCHEMBL8366708 0.88 RPA1 (0.65) RPA1MARS1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL8369717 0.87 CNR2 (0.56) RPA1MARS1CNR2CNR1SMN1; SMN2
SCHEMBL8369153 0.87 MARS1 (0.53) RPA1MARS1CNR2CNR1
SCHEMBL8366415 0.87 MARS1 (0.53) RPA1MARS1CNR2CNR1
Hydrochloric Acid SCHEMBL8369158 0.87 RPA1 (0.53) RPA1MARS1ALDH1A1KDM4EGAA
SCHEMBL27413923 0.86 RPA1 (0.53) RPA1MARS1ALDH1A1KDM4EGAA
SCHEMBL8367182 0.81 CNR2 (0.50) MARS1CNR2CNR1MEN1KMT2A

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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