SCHEMBL4539690

SCHEMBL4539690

COC(=O)c1cccn1-c1ncc(Br)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
OPRK1 P41145 9/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
P2RY12 Q9H244 1/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL4540046 0.85 MAPT (0.43) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4539989 0.85 MAPT (0.43) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4540145 0.85 CYP1A2 (0.49) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4540292 0.82 MAPT (0.64) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4542687 0.81 MAPT (0.45) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL21903236 0.77 MAPT (0.40) MAPTNPSR1CYP3A4KMT2AOPRK1
Acetonitrile SCHEMBL27922454 0.74 BDKRB1 (0.40) MAPTMEN1PPARGKMT2ANR2E3
SCHEMBL4541749 0.74 MAPT (0.47) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL27857191 0.73 KMT2A (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4542793 0.72 BDKRB1 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed