SCHEMBL528505

SCHEMBL528505

Clc1cccc(-c2ccnnc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.45
CNR1 P21554 1/20 0.45
NOTUM Q6P988 1/20 0.43
IDO1 P14902 1/20 0.43
P2RX7 Q99572 3/20 0.40
TSHR P16473 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAOA P21397 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
SCN4A P35499 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
PDE3A Q14432 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL27646280 0.84 CYP2A6 (0.52) CNR2NOTUMIDO1CYP2D6
SCHEMBL3772831 0.78 P2RX7 (0.47) CNR2CNR1NOTUMIDO1P2RX7
SCHEMBL29746276 0.78 ERN1 (0.34) CNR2P2RX7BLM
SCHEMBL6501884 0.72 RORC (0.46) CNR2CNR1NOTUMIDO1SCN9A
SCHEMBL440943 0.71 TSHR (0.52) CNR2NOTUMIDO1P2RX7TSHR
SCHEMBL6531978 0.70 CNR2 (0.54) CNR2CNR1IDO1
SCHEMBL2752439 0.70 NOTUM (0.38) CNR2CNR1NOTUMIDO1P2RX7
SCHEMBL4489711 0.70 CNR2 (0.54) CNR2CNR1CYP2D6MAOAMAPK1
SCHEMBL2753943 0.70 CNR2 (0.43) CNR2CNR1NOTUMIDO1P2RX7
SCHEMBL29489437 0.70 CYP2A6 (0.68) CNR2NOTUMIDO1P2RX7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598505-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-06-05 EP disclosed
WO-2012013713-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 WO disclosed