Sugi Predict

Sugi Predict / Compounds / SCHEMBL476316

SCHEMBL476316

SCHEMBL476316

O=C(CO)NCCCOc1c(C(=O)NC(=O)C2(NCc3ccc(F)cc3)CCNCC2)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL476375 0.98 CNR1 (0.37) CNR1SMN1; SMN2POLBTP53MDM2
SCHEMBL476266 0.93 CNR1 (0.36) CNR1SMN1; SMN2POLBTP53MDM2
SCHEMBL476386 0.92 CNR1 (0.36) CNR1SMN1; SMN2TP53MDM2CNR2
SCHEMBL476352 0.92 CNR1 (0.37) CNR1SMN1; SMN2TP53MDM2CNR2
SCHEMBL476431 0.91 CNR1 (0.36) CNR1SMN1; SMN2TP53MDM2CNR2
SCHEMBL476225 0.86 CNR1 (0.38) CNR1TP53MDM2
SCHEMBL476391 0.86 CNR1 (0.39) CNR1TP53MDM2
SCHEMBL476234 0.85 TP53 (0.36) CNR1TP53MDM2
SCHEMBL476345 0.83 TP53 (0.37) CNR1TP53MDM2
SCHEMBL2682017 0.83 CNR1 (0.42) CNR1SMN1; SMN2TP53MDM2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 — — EP claimed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 — — WO claimed