SCHEMBL9518694

SCHEMBL9518694

N#Cc1[nH]cc(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
MCL1 Q07820 1/20 0.38
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ERBB2 P04626 1/20 0.34
PSD A5PKW4 1/20 0.34
AR P10275 2/20 0.33
CNR1 P21554 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL9518677 0.73 AR (0.49) AR
SCHEMBL9336071 0.71 ALDH1A1 (0.47) KDM4EHPGDALDH1A1LMNAMEN1
SCHEMBL9224302 0.69 LRRK2 (0.42) LRRK2KDM4EHPGDALDH1A1LMNA
SCHEMBL9123158 0.69 KDM4E (0.33) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL3783457 0.66 KDM4E (0.48) LRRK2KDM4EHPGDALDH1A1LMNA
SCHEMBL3804832 0.66 LRRK2 (0.42) LRRK2KDM4EHPGDALDH1A1LMNA
SCHEMBL13488602 0.66 KDM4E (0.48) LRRK2KDM4EHPGDALDH1A1LMNA
SCHEMBL9023027 0.66 MCL1 (0.44) LRRK2KDM4EHPGDALDH1A1LMNA
SCHEMBL9189605 0.65 ALDH1A1 (0.47) KDM4EHPGDALDH1A1LMNAMEN1
SCHEMBL9015079 0.64 GCGR (0.49) KDM4EHPGDALDH1A1LMNAMEN1

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
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed