SCHEMBL31487553

SCHEMBL31487553

CCCc1cccc(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.53
KAT6A Q92794 2/20 0.50
MEP1B Q16820 1/20 0.49
IDH1 O75874 1/20 0.48
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
FOLH1 Q04609 1/20 0.46
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL7771633 1.00 PARP1 (0.53) PARP1KAT6AMEP1BIDH1CYP4F2
Hydrochloric Acid SCHEMBL27543812 0.98 PARP1 (0.52) PARP1KAT6AMEP1BIDH1CYP4F2
SCHEMBL5194309 0.89 SPHK2 (0.52) PARP1MEP1BIDH1CYP4F2CYP4A11
SCHEMBL10669113 0.88 SPHK2 (0.57) PARP1CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL28241905 0.86 SPHK2 (0.60) CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL15964806 0.86 SPHK2 (0.60) CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL9356792 0.86 SPHK2 (0.60) CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL11050526 0.85 KAT6A (0.50) KAT6ACYP4F2CYP4A11FOLH1LOXL2
SCHEMBL11752450 0.85 KAT6A (0.52) KAT6ACYP4F2CYP4A11FOLH1LOXL2
SCHEMBL45866 0.85 PARP1 (0.57) PARP1KAT6AMEP1BIDH1CYP4F2

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-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 WO disclosed