SCHEMBL31454201

SCHEMBL31454201

COC(=O)c1c(-c2ccccc2)ccn1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
PRKCZ Q05513 1/20 0.43
EGFR P00533 1/20 0.43
TSHR P16473 1/20 0.43
GABRA5 P31644 1/20 0.42
SLC6A3 Q01959 3/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42

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
SCHEMBL16007133 0.81 ALDH1A1 (0.47) HTTMEN1KMT2AGABRA1GABRG2
SCHEMBL16056968 0.81 HTT (0.44) HTTMEN1KMT2AGABRA1GABRG2
SCHEMBL23692936 0.76
SCHEMBL20027667 0.73 LPAR1 (0.49) HTTMEN1KMT2AGABRA1GABRG2
SCHEMBL16007138 0.72 ALDH1A1 (0.43) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL13228930 0.70 HTT (0.62) HTTMEN1KMT2AGABRA1GABRG2
SCHEMBL8779255 0.69 SLC6A3 (0.51) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL1775832 0.68 SLC6A3 (0.74) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL12121707 0.68 GABRA1 (0.62) HTTMEN1KMT2AGABRA1GABRG2
SCHEMBL19915858 0.68 IDO1 (0.50) HTTMEN1KMT2AGABRA1GABRG2

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
CN-119365460-A Compounds that interact with Ras superfamily proteins for the treatment of cancer, inflammatory diseases, RAS diseases, and fibrotic diseases 尚医治疗有限责任公司 2025-01-24 CN disclosed