SCHEMBL8968369

SCHEMBL8968369

Cc1cccc2nc3ccccn3c(=N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
GLA P06280 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
NPC1 O15118 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HTR6 P50406 6/20 0.40
DPP4 P27487 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL8968491 0.84 KDM4E (0.42) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8969408 0.82 ALDH1A1 (0.41) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8968556 0.81 KDM4E (0.50) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8968440 0.81 KDM4E (0.44) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8968402 0.81 ALDH1A1 (0.44) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL28678190 0.81 KDM4E (0.59) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8968474 0.81 NPC1 (0.44) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8968229 0.81 HTR6 (0.45) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8968970 0.80 KDM4E (0.48) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL8969902 0.78 HSD17B10 (0.42) GAAKDM4EALDH1A1GLASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed