SCHEMBL11325702

SCHEMBL11325702

O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12.O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
PARP1 P09874 7/20 0.41
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TNKS O95271 1/20 0.38
GPR3 P46089 1/20 0.38
PARP15 Q460N3 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GAA P10253 1/20 0.37
GRIN2D O15399 5/20 0.36
GRIN3B O60391 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2A Q12879 5/20 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
SCHEMBL342450 1.00 SRC (0.46) SRCPARP1KDM4EALDH1A1MEN1
SCHEMBL16469336 0.96 SRC (0.44) SRCPARP1KDM4EALDH1A1MEN1
SCHEMBL16279870 0.96 SRC (0.44) SRCPARP1KDM4EALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL11336651 0.96 SRC (0.44) SRCPARP1KDM4EALDH1A1MEN1
SCHEMBL17951854 0.96 SRC (0.50) SRCPARP1KDM4EALDH1A1MEN1
SCHEMBL17792659 0.96 SRC (0.50) SRCPARP1KDM4EALDH1A1MEN1
Urea SCHEMBL11430458 0.85 SRC (0.43) SRCPARP1KDM4EALDH1A1LMNA
SCHEMBL11147500 0.83 SRC (0.37) SRCPARP1KDM4EALDH1A1MEN1
SCHEMBL11440226 0.81 SRC (0.35) SRCPARP1
Acetamide SCHEMBL11256669 0.81 SRC (0.40) SRCPARP1KDM4EALDH1A1LMNA

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
US-4289784-A ASYMMETRICALLY SUBSTITUTED MERCK & CO., INC. (US) 1981-09-15 US disclosed
US-4212880-A INCREASE FEED EFFICIENCY MERCK & CO., INC. (US) 1980-07-15 US disclosed