SCHEMBL30380486

SCHEMBL30380486

CN1CCC(NC(=O)c2cccc(Br)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
PRKAA2 P54646 2/20 0.50
KMT2A Q03164 1/20 0.49
GRM5 P41594 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
USP30 Q70CQ3 2/20 0.44
SMYD3 Q9H7B4 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
DCLK1 O15075 1/20 0.43
PDPK1 O15530 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PIM1 P11309 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL24148772 1.00 HSD11B1 (0.51) HSD11B1PRKAA2KMT2AGRM5CHRNB2
SCHEMBL24150078 0.95 HSD11B1 (0.53) HSD11B1PRKAA2KMT2AGRM5CHRNB2
SCHEMBL4779 0.87 HSD11B1 (0.52) HSD11B1PRKAA2KMT2AGRM5SMYD3
SCHEMBL24151463 0.85 GRM5 (0.53) HSD11B1PRKAA2GRM5CHRNB2CHRNB4
SCHEMBL25053099 0.85 HSD11B1 (0.52) HSD11B1PRKAA2KMT2ACHRNB2CHRNB4
SCHEMBL24151346 0.85 PRKAA2 (0.55) HSD11B1PRKAA2ALDH1A1HPGDPRKAA1
SCHEMBL24150310 0.84 HSD11B1 (0.60) HSD11B1KMT2AGRM5ALDH1A1HPGD
SCHEMBL24150646 0.84 HTR4 (0.55) HSD11B1PRKAA2
SCHEMBL30379651 0.84 HTR4 (0.55) HSD11B1PRKAA2
SCHEMBL13267799 0.84 PRKAA2 (0.53) HSD11B1PRKAA2KMT2ACHRNB2CHRNB4

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-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed