SCHEMBL30826403

SCHEMBL30826403

COc1cccc2ccn(C(C)=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.50
FABP4 P15090 1/20 0.45
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SLC22A12 Q96S37 2/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL29187805 1.00 NOTUM (0.50) NOTUMFABP4LMNARECQLCA12
SCHEMBL30405202 0.87 FABP4 (0.48) NOTUMFABP4LMNARECQLCA12
SCHEMBL24110585 0.82 FABP4 (0.43) NOTUMFABP4LMNARECQLCA12
SCHEMBL12317552 0.81 RAB9A (0.54) FABP4LMNACA12CA1CA2
SCHEMBL20905146 0.81 FABP4 (0.42) NOTUMFABP4LMNARECQLCA12
SCHEMBL2117909 0.81 MEN1 (0.42) FABP4LMNAALDH1A1KDM4EMAPT
SCHEMBL26240527 0.80 ACLY (0.46) NOTUMFABP4LMNARECQLCA12
SCHEMBL24109801 0.78 FABP4 (0.42) NOTUMFABP4LMNARECQLCA12
SCHEMBL24109948 0.78 FABP4 (0.42) NOTUMFABP4LMNARECQLCA12
SCHEMBL6401001 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKMT2AMEN1

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-117645562-A Ligand for copper catalytic coupling reaction and application thereof 江西德璟生物科技有限公司 2024-03-05 CN disclosed