SCHEMBL13638378

SCHEMBL13638378

CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cn3)cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.36
FBP1 P09467 3/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
S1PR4 O95977 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
S1PR1 P21453 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAMPT P43490 1/20 0.31
BTK Q06187 1/20 0.31
KIT P10721 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL9923271 0.93 P2RY12 (0.43) P2RY12FBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13638637 0.87 P2RY12 (0.36) P2RY12FBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13638640 0.83 P2RY12 (0.38) P2RY12MEN1KMT2ABTKBRD4
SCHEMBL12177675 0.82 P2RY12 (0.41) P2RY12FBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9922303 0.82 P2RY12 (0.46) P2RY12FBP1MEN1KMT2ACSF1R
SCHEMBL14228651 0.82 P2RY12 (0.39) P2RY12FBP1MEN1TP53KMT2A
SCHEMBL14228581 0.82 P2RY12 (0.42) P2RY12FBP1MEN1KMT2ABTK
SCHEMBL9923273 0.82 P2RY12 (0.43) P2RY12FBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL12177095 0.81 P2RY12 (0.34) P2RY12FBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL12177246 0.80 PIK3CA (0.34) P2RY12FBP1ALDH1A1SMN1; SMN2MEN1

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