SCHEMBL31444508

SCHEMBL31444508

O=C(CBr)c1cccc(F)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.49
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 2/20 0.41
ERCC5 P28715 2/20 0.41
FEN1 P39748 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALB P02768 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
P2RX7 Q99572 2/20 0.38
ALDH2 P05091 1/20 0.38
KAT6A Q92794 1/20 0.38

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
SCHEMBL5158700 0.81 RXFP1 (0.44) PTPN1CES2CES1ALDH1A1ALOX15
SCHEMBL1743414 0.81 CES2 (0.61) PTPN1CES2CES1ALDH1A1ALOX15
SCHEMBL30956741 0.81 CES2 (0.61) PTPN1CES2CES1ALDH1A1ALOX15
SCHEMBL30547190 0.81 ERCC5 (0.61) PTPN1CES2CES1ALDH1A1MEN1
SCHEMBL1199039 0.81 ERCC5 (0.61) PTPN1CES2CES1ALDH1A1MEN1
SCHEMBL166429 0.80 PTPN1 (0.58) PTPN1CES2CES1ALDH1A1ALOX15
SCHEMBL29844777 0.80 PTPN1 (0.58) PTPN1CES2CES1ALDH1A1ALOX15
SCHEMBL29746293 0.79 PTPN1 (0.50) PTPN1ALDH1A1MEN1KMT2AGSK3B
SCHEMBL31298304 0.79 PTPN1 (0.50) PTPN1CES2CES1ALDH1A1ALOX15
SCHEMBL12467964 0.79 ALDH1A1 (0.46) CES2CES1ALDH1A1ALOX15BCHE

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
WO-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed