Sugi Predict

Sugi Predict / Compounds / SCHEMBL13633779

SCHEMBL13633779

SCHEMBL13633779

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(C)NCCN3CCCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.36
▸ HRH3 Q9Y5N1 10/20 0.34
▸ PTGER3 P43115 5/20 0.34
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL13633639 0.94 SMN1; SMN2 (0.36) P2RY12CNR1
SCHEMBL13633815 0.88 P2RY12 (0.37) P2RY12PTGER3
SCHEMBL9922601 0.86 EPHX2 (0.41) P2RY12PTGER3CNR1
SCHEMBL13638572 0.82 P2RY12 (0.37) P2RY12
SCHEMBL12161541 0.81 EPHX2 (0.43) CNR1
SCHEMBL12161536 0.79 P2RY12 (0.43) P2RY12PTGER3
SCHEMBL13638573 0.79 P2RY12 (0.43) P2RY12PTGER3
SCHEMBL14228353 0.78 P2RY12 (0.42) P2RY12PTGER3
SCHEMBL12161526 0.78 P2RY12 (0.42) P2RY12PTGER3
SCHEMBL12161540 0.78 P2RY12 (0.40) P2RY12PTGER3

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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 — — US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 — — US disclosed