SCHEMBL8366459

SCHEMBL8366459

Cc1ccc(CCCn2nc(C(=O)O)cc2-c2ccc(Cl)c(C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 2/20 0.49
▸ MARS1 P56192 5/20 0.47
▸ CNR2 P34972 6/20 0.47
▸ CNR1 P21554 3/20 0.47
▸ PPP1CA P62136 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ P2RY14 Q15391 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMPD1 P17405 1/20 0.41

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
SCHEMBL8368933 0.93 RPA1 (0.51) RPA1MARS1CNR2CNR1PPP1CA
SCHEMBL8368110 0.91 CNR2 (0.49) RPA1MARS1CNR2CNR1SMPD1
SCHEMBL5902998 0.88 CNR2 (0.57) RPA1MARS1CNR2CNR1PPP1CA
Hydrochloric Acid SCHEMBL8369717 0.86 CNR2 (0.56) RPA1MARS1CNR2CNR1PPP1CA
SCHEMBL8369654 0.84 MARS1 (0.49) RPA1MARS1CNR2CNR1PPP1CA
SCHEMBL8369248 0.84 CNR2 (0.50) RPA1MARS1CNR2CNR1
SCHEMBL8369874 0.81 RPA1 (0.61) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL8369153 0.80 MARS1 (0.53) RPA1MARS1CNR2CNR1PPP1CA
SCHEMBL8366415 0.80 MARS1 (0.53) RPA1MARS1CNR2CNR1PPP1CA
SCHEMBL8369101 0.79 RPA1 (0.61) RPA1MARS1CNR2CNR1PPP1CA

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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