SCHEMBL13633804

SCHEMBL13633804

Cc1ccc2[nH]cc(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
RECQL P46063 1/20 0.40
HTR6 P50406 1/20 0.39
FBP1 P09467 1/20 0.38
STING1 Q86WV6 2/20 0.38
MAPT P10636 9/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 3/20 0.35
GALR3 O60755 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL14200782 0.90 P2RY12 (0.46) P2RY12MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12161710 0.89 MEN1 (0.47) P2RY12MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12161697 0.89 MAOB (0.46) P2RY12MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12177423 0.83 STING1 (0.46) P2RY12LMNASTING1MAPT
SCHEMBL9922220 0.83 MAPT (0.40) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL12161715 0.81 MEN1 (0.46) P2RY12MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14113780 0.81 MEN1 (0.46) P2RY12MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9922392 0.80 P2RY12 (0.42) P2RY12MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9922655 0.80 P2RY12 (0.47) P2RY12MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13633811 0.80 P2RY12 (0.42) P2RY12MEN1KMT2ALMNASMN1; 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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed