SCHEMBL9687110

SCHEMBL9687110

N#Cc1c(N)c(Cl)c(N)c(C#N)c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV4 Q9HBA0 1/20 0.34
KHK P50053 1/20 0.31

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
SCHEMBL8895191 0.91 ALDH1A1 (0.39) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL9153952 0.86 ALDH1A1 (0.39) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL9687588 0.86 ALDH1A1 (0.39) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL9688285 0.81 TRPV4 (0.39) TRPV4
SCHEMBL9154264 0.81 TRPV4 (0.39) MAPK1TRPV4
SCHEMBL9152929 0.80 ALDH1A1 (0.42) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL25778066 0.78 TRPV4 (0.35) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL28657820 0.78 MEN1 (0.50) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL27623466 0.78 MEN1 (0.50) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL8895828 0.77 TRPV4 (0.36) TRPV4

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
US-5162584-A FLUOROBENZENE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-10 US disclosed
EP-0415595-A1 Fluorobenzene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP disclosed