SCHEMBL9045231

SCHEMBL9045231

CC(=O)N1CCc2cc(NC(=O)/C=N/O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 1/20 0.55
NOTUM Q6P988 6/20 0.53
TRIM24 O15164 6/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.47
IDO1 P14902 1/20 0.47
SYK P43405 1/20 0.46

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
SCHEMBL8649563 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL11682254 0.83 SMN1; SMN2 (0.70) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL3767593 0.81 SMN1; SMN2 (0.72) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL14067268 0.79 SMN1; SMN2 (0.65) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL13002857 0.78 NOTUM (0.65) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL14067050 0.78 SMN1; SMN2 (0.64) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL13675761 0.75 TRPV1 (0.65) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL14590670 0.75 TP53 (0.60) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL14148139 0.75 NOTUM (0.60) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL1948508 0.74 SMN1; SMN2 (0.80) SMN1; SMN2MAPTNPC1TP53RAB9A

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
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 WO disclosed