SCHEMBL30702005

SCHEMBL30702005

COc1cc(C#N)c(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
AR P10275 7/20 0.39
HTR2A P28223 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
IDH1 O75874 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 1/20 0.34
XDH P47989 1/20 0.34
POLB P06746 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
SCHEMBL13827239 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL27191858 0.93 KDM4E (0.41) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL31510972 0.85 TRPV4 (0.41) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL7980232 0.84 KDM4E (0.46) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL2731180 0.82 TRPV4 (0.45) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL11963120 0.79 TRPV4 (0.50) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL3425063 0.79 KDM4E (0.48) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL24823994 0.78 POLB (0.62) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL14720180 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL16664689 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2ARHTR2A

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