SCHEMBL9823307

SCHEMBL9823307

CCCCCc1ccn(N)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
CYP19A1 P11511 9/20 0.39
KDM5A P29375 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
MIF P14174 1/20 0.37
HTR2A P28223 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2629293 0.78 KCNH2 (0.47) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL28221869 0.77 KCNH2 (0.50) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL27710988 0.77 KCNH2 (0.46) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL19578802 0.77 KCNH2 (0.50) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL8664135 0.76 KCNH2 (0.48) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL27711036 0.76 KCNH2 (0.44) KCNH2CNR2CNR1CYP19A1KDM5A
Bromide SCHEMBL28491346 0.76 KCNH2 (0.48) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL26048236 0.76 KCNH2 (0.44) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL370840 0.76 KCNH2 (0.44) KCNH2CNR2CNR1CYP19A1KDM5A
SCHEMBL29139297 0.74 KCNH2 (0.43) KCNH2CNR2CNR1CYP19A1KDM5A

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-0245646-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-5-AMINO-PYRAZOLES BAYER AG (DE) 1991-09-11 EP disclosed
EP-0245646-A1 Process for the preparation of 1-aryl-5-amino-pyrazoles BAYER AG (DE) 1987-11-19 EP disclosed