SCHEMBL4646800

SCHEMBL4646800

CNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3CCO)c(=O)c2cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.55
FBP1 P09467 4/20 0.34
MAPT P10636 2/20 0.33
F10 P00742 3/20 0.32
F2 P00734 2/20 0.32
SLC22A12 Q96S37 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
AKR1C3 P42330 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
SCHEMBL4688501 0.95 P2RY12 (0.56) P2RY12FBP1MAPTF10F2
SCHEMBL4686051 0.94 P2RY12 (0.57) P2RY12FBP1MAPTF10SLC22A12
SCHEMBL4685308 0.92 P2RY12 (0.55) P2RY12FBP1MAPTF10SLC22A12
SCHEMBL4686749 0.91 P2RY12 (0.60) P2RY12FBP1MAPTF10SLC22A12
SCHEMBL4688906 0.90 P2RY12 (0.59) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL4683560 0.90 P2RY12 (0.53) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL4860490 0.89 P2RY12 (0.58) P2RY12FBP1MAPTF10MEN1
SCHEMBL4685193 0.89 P2RY12 (0.52) P2RY12FBP1MAPTF10MEN1
SCHEMBL4689919 0.89 P2RY12 (0.57) P2RY12FBP1MAPTSLC22A12MEN1
SCHEMBL4689069 0.88 P2RY12 (0.57) P2RY12FBP1MAPTSLC22A12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed