SCHEMBL8969191

SCHEMBL8969191

Cc1cc2nc3ccccn3c(=N)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.44
GAA P10253 7/20 0.44
GLA P06280 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
LMNA P02545 2/20 0.41
HTR6 P50406 4/20 0.40
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL8969987 0.83 ALDH1A1 (0.43) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8968998 0.83 ALDH1A1 (0.46) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8969559 0.81 KDM4E (0.62) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8968935 0.81 HTR6 (0.45) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8969541 0.77 ALDH1A1 (0.46) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8969938 0.77 KDM4E (0.46) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8968953 0.77 KDM4E (0.63) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8969253 0.77 HTR6 (0.43) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8969330 0.77 KDM4E (0.59) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL8968964 0.77 KDM4E (0.43) KDM4EALDH1A1GAAGLASMN1; 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