SCHEMBL8369157

SCHEMBL8369157

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 9/20 0.65
▸ PPP1CA P62136 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ SMPD1 P17405 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ CA9 Q16790 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL14728116 0.89 SMPD1 (0.64) RPA1PPP1CASMN1; SMN2SMPD1PTGS2
SCHEMBL877377 0.83 SMPD1 (0.58) RPA1PPP1CASMN1; SMN2SMPD1PTGS2
SCHEMBL16797379 0.82 KDM1A (0.60) RPA1PPP1CASMN1; SMN2SMPD1PTGS2
SCHEMBL4011074 0.81 RPA1 (0.65) RPA1PPP1CACA9
SCHEMBL3866686 0.81 SMPD1 (0.56) RPA1PPP1CASMN1; SMN2SMPD1PTGS2
SCHEMBL28038232 0.80 BCL2 (0.65) RPA1PPP1CASMN1; SMN2SMPD1PTGS2
SCHEMBL3863977 0.80 PTGS2 (0.66) PPP1CASMN1; SMN2SMPD1PTGS2CA9
SCHEMBL861458 0.80 SMPD1 (0.55) RPA1PPP1CASMN1; SMN2SMPD1PTGS2
SCHEMBL13290381 0.80 PTGS2 (0.66) PPP1CASMN1; SMN2SMPD1PTGS2CA9
SCHEMBL25221707 0.80 NOTUM (0.56) RPA1PPP1CASMN1; SMN2

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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