SCHEMBL29337463

SCHEMBL29337463

CC(N)c1cccc(-n2cnnn2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.53
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
G6PD P11413 1/20 0.44
USP2 O75604 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7994431 0.87 NOTUM (0.65) NOTUMLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL4581611 0.81 TP53 (0.53) NOTUMLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL17258103 0.80 TP53 (0.56) NOTUMLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL21152328 0.79 NOTUM (0.72) NOTUMLMNATP53SMN1; SMN2KMT2A
SCHEMBL29675872 0.76 TP53 (0.55) LMNAALDH1A1TP53SMN1; SMN2KMT2A
SCHEMBL334619 0.76 LMNA (0.42) NOTUMLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL5330796 0.76 CYP2A6 (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4210419 0.75 KMT2A (0.62) NOTUMLMNATP53SMN1; SMN2KMT2A
SCHEMBL1353899 0.75 NOTUM (0.60) NOTUMLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL917714 0.75 NOTUM (0.67) NOTUMLMNAALDH1A1TP53SMN1; SMN2

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
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed