SCHEMBL29065015

SCHEMBL29065015

Brc1ccc(CNC2CC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.33
GRIN2B Q13224 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL552041 0.73 TSHR (0.37) RXFP1MEN1RAB9AKMT2AADORA2A
SCHEMBL1414863 0.71 KDM4E (0.45) RXFP1ALDH1A1KDM4ETDP1KMT2A
SCHEMBL14308851 0.71
SCHEMBL1750044 0.71
SCHEMBL9377008 0.71
SCHEMBL2406448 0.71 KDM1A (0.61)
SCHEMBL2406446 0.71 KDM1A (0.61)
SCHEMBL24035643 0.70 KMT2A (0.56) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL3360573 0.69 PRMT6 (0.52) RXFP1ALDH1A1KDM4ETDP1MEN1
SCHEMBL552144 0.67 HRH3 (0.41) RXFP1ALDH1A1KDM4ERAB9AHPGD

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
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
EP-4149459-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-03-22 EP disclosed