SCHEMBL31048414

SCHEMBL31048414

Oc1cc(O)c2cc(Br)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.54
ERN1 O75460 2/20 0.46
ALOX15 P16050 3/20 0.43
PIM1 P11309 1/20 0.43
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP2A6 P11509 1/20 0.38
CES2 O00748 1/20 0.38
GALR3 O60755 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11751298 0.83 ALOX15 (0.43) NQO2ERN1ALOX15PIM1MAPT
SCHEMBL4963546 0.79 NQO2 (0.60) NQO2ALOX15ESR1ESR2CYP1A2
SCHEMBL31037129 0.79 NQO2 (0.60) NQO2ALOX15ESR1ESR2CYP1A2
SCHEMBL1699670 0.79 ERN1 (0.43) ERN1ALOX15PIM1MAPTMEN1
SCHEMBL11059407 0.79 MEN1 (0.42) NQO2ERN1ALOX15PIM1MAPT
SCHEMBL1461934 0.76 ERN1 (0.52) ERN1ALOX15MAPTMEN1KMT2A
SCHEMBL12693896 0.75 TRPM4 (0.63) NQO2ERN1ALOX15PIM1MEN1
SCHEMBL31504060 0.75 TRPM4 (0.63) NQO2ERN1ALOX15PIM1MEN1
SCHEMBL30018173 0.75 TMPRSS4 (0.43) ERN1ALOX15PIM1MAPTMEN1
SCHEMBL27619808 0.75 PRMT1 (0.59) ERN1ALOX15PIM1MAPTMEN1

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-2024178304-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-08-29 WO disclosed