SCHEMBL8499717

SCHEMBL8499717

Clc1nccn1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTK2 Q05397 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 1/20 0.40
PLD1 Q13393 1/20 0.39
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
RAB9A P51151 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
SCHEMBL27358257 0.76 KDM4E (0.47) KDM4ETSHRPOLBTDP1ALDH1A1
SCHEMBL4031586 0.76 POLB (0.46) KDM4ETSHRPOLBTDP1ALDH1A1
SCHEMBL8089248 0.76 KDM4E (0.47) KDM4ETSHRPOLBTDP1ALDH1A1
SCHEMBL17844038 0.76 KDM4E (0.47) KDM4ETSHRPOLBTDP1ALDH1A1
SCHEMBL27649665 0.75 CYP3A4 (0.46) POLBALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL8500994 0.74 KDR (0.46) KDR
SCHEMBL5594263 0.73 KDR (0.57) KDM4ETSHRPOLBKDR
SCHEMBL21753738 0.72 KDM4E (0.44) KDM4ETSHRPOLBTDP1ALDH1A1
SCHEMBL8500406 0.71 RPS6KA5 (0.40) KDM4E
SCHEMBL28468058 0.71 PTK2 (0.44) KDM4ETSHRPOLBTDP1ALDH1A1

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-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 WO disclosed