SCHEMBL1023575

SCHEMBL1023575

COc1ccc(-c2c(-c3c(F)cc(OC)cc3F)c(Cl)nn2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.38
PDE10A Q9Y233 1/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IGF1R P08069 1/20 0.36
MAOA P21397 1/20 0.36
KDM1A O60341 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL1023884 0.93 CYP1A2 (0.38) BACE1PDE10APTGS1PTGS2CYP1A2
SCHEMBL1024672 0.93 L3MBTL1 (0.39) L3MBTL1BACE1POLBATMNPC1
SCHEMBL1026639 0.86 PDE10A (0.37) PDE10ANPC1RAB9AIGF1RKDM1A
SCHEMBL1027586 0.85 GRM8 (0.36) BACE1PDE10AIGF1RKDM1APTGS2
SCHEMBL1025104 0.81 PDE10A (0.36) PDE10A
SCHEMBL19953206 0.81 POLB (0.38) L3MBTL1BACE1PDE10APOLBPTGS1
SCHEMBL1025606 0.79 GRM5 (0.38) KDM5AKDM4CKDM5B
SCHEMBL1023290 0.77 NR1H2 (0.36) PDE10APTGS2
SCHEMBL12856308 0.75 GRM5 (0.46) L3MBTL1BACE1POLBATMNPC1
SCHEMBL19967295 0.74 KMT2A (0.34) L3MBTL1NPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274285-A1 NOVEL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2011-01-19 EP claimed
WO-2009127612-A1 NOVEL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO claimed
EP-2274285-A1 NOVEL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2011-01-19 EP disclosed
WO-2009127612-A1 NOVEL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed