Sugi Predict

Sugi Predict / Compounds / SCHEMBL13632164

SCHEMBL13632164

SCHEMBL13632164

O=C(NC1CC(=O)N(c2ccc(N3CCOCC3=O)c(Cl)c2)C1)c1cnc(Br)s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.48
▸ TP53 P04637 3/20 0.44
▸ ENPP2 Q13822 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4490933 0.89 F10 (0.57) F10TP53ENPP2LMNA
SCHEMBL4506434 0.87 F10 (0.57) F10
SCHEMBL4519041 0.86 ENPP2 (0.44) F10TP53ENPP2LMNAPOLB
SCHEMBL4518307 0.82 F10 (0.49) F10TP53ENPP2LMNAPOLB
SCHEMBL4515541 0.80 F10 (0.57) F10TP53LMNAPOLB
SCHEMBL4510953 0.80 F10 (0.56) F10TP53LMNAPOLB
SCHEMBL4496521 0.79 F10 (0.45) F10TP53ENPP2LMNAPOLB
SCHEMBL4492727 0.79 F10 (0.57) F10TP53
SCHEMBL4506653 0.79 F10 (0.57) F10TP53
SCHEMBL4503998 0.79 F10 (0.68) F10

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
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 — — US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 — — US disclosed