SCHEMBL30701960

SCHEMBL30701960

N#Cc1cc(Br)c(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.45
KHK P50053 1/20 0.39
CYP11B2 P19099 6/20 0.38
CYP11B1 P15538 3/20 0.37
ALDH1A1 P00352 1/20 0.36
AHR P35869 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
CSNK2A1 P68400 2/20 0.33
S1PR3 Q99500 2/20 0.33
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 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
SCHEMBL27191919 1.00 TRPV4 (0.45) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL21543270 0.92 TRPV4 (0.45) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL28831695 0.83 ALDH1A1 (0.42) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL8462168 0.82 TRPV4 (0.52) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL31504178 0.80 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL1880028 0.80 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL14720036 0.80 TRPV4 (0.50) TRPV4KHKCYP11B2CYP11B1EGLN2
SCHEMBL29559549 0.80 TRPV4 (0.50) TRPV4KHKCYP11B2CYP11B1EGLN2
SCHEMBL832660 0.79 TRPV4 (0.45) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL1630792 0.76 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1EGLN2

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-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed