SCHEMBL31055021

SCHEMBL31055021

O=C(Cn1cc(I)cn1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.45
POLB P06746 2/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
PLAA Q9Y263 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PLOD2 O00469 1/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MGAM O43451 1/20 0.41
AMY1A P0DUB6 1/20 0.41

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
SCHEMBL31055029 0.81 POLB (0.56) SRCPOLBALPIALPGPLAA
SCHEMBL8986686 0.81 SRC (0.45) SRCPOLBALPIALPGPLAA
SCHEMBL31054978 0.81 KMT2A (0.48) SRCPOLBALPIALPGPLAA
SCHEMBL15485301 0.79 HTT (0.39) ALPIALPGPLAAALDH1A1HPGD
SCHEMBL5138924 0.77 POLB (0.45) SRCPOLBALPIALPGPLAA
SCHEMBL27609084 0.76 ALPI (0.43) SRCPOLBALPIALPGPLAA
SCHEMBL10736788 0.74 SMN1; SMN2 (0.48) POLBPLOD2HPGDKMT2AKDM4E
SCHEMBL5139738 0.73 SRC (0.41) SRCPOLBALPIALPGPLAA
SCHEMBL4983149 0.71 HTT (0.53) SRCPOLBALDH1A1PLOD2HPGD
SCHEMBL5138925 0.71 SRC (0.40) SRCPOLBALPIALPGPLAA

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
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed
CN-118726999-A Preparation method of phosphoryl azole acetophenone derivatives 上海兆维科技发展有限公司 2024-10-01 CN disclosed