SCHEMBL30320360

SCHEMBL30320360

CCn1cc(C(F)(F)F)nc1-c1ccc(CBr)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.37
USP1 O94782 5/20 0.36
HSD11B1 P28845 2/20 0.36
PTGS1 P23219 3/20 0.35
CRHR1 P34998 2/20 0.35
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
DGAT1 O75907 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL25792027 1.00 PTGS2 (0.37) PTGS2USP1HSD11B1PTGS1CRHR1
SCHEMBL30320408 0.86 USP1 (0.44) PTGS2USP1PTGS1DGAT1
SCHEMBL25791872 0.86 USP1 (0.44) PTGS2USP1PTGS1DGAT1
SCHEMBL25247029 0.83 USP1 (0.44) PTGS2USP1HSD11B1PTGS1CRHR1
SCHEMBL25792053 0.83 USP1 (0.39) PTGS2USP1PTGS1DGAT1
SCHEMBL30320434 0.83 USP1 (0.39) PTGS2USP1PTGS1DGAT1
SCHEMBL25791868 0.81 USP1 (0.46) PTGS2USP1PTGS1DGAT1
SCHEMBL25252227 0.81 PTGS2 (0.36) PTGS2USP1HSD11B1PTGS1CRHR1
SCHEMBL25290034 0.80 RXRA (0.34) PTGS2USP1RXRADGAT1
SCHEMBL25344707 0.74 USP1 (0.40) PTGS2USP1HSD11B1

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-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP disclosed