SCHEMBL8968491

SCHEMBL8968491

Cc1ccc2nc3ccccn3c(=N)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
GLA P06280 5/20 0.42
GAA P10253 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 4/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HTR6 P50406 8/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL8968369 0.84 GAA (0.44) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8969408 0.79 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8968474 0.78 NPC1 (0.44) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8969881 0.77 KDM4E (0.49) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8968970 0.77 KDM4E (0.48) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8969191 0.75 KDM4E (0.44) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8968440 0.75 KDM4E (0.44) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8968402 0.75 ALDH1A1 (0.44) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8968556 0.75 KDM4E (0.50) KDM4EALDH1A1GLAGAANPSR1
SCHEMBL8969078 0.75 HTR6 (0.42) KDM4EALDH1A1GLAGAANPSR1

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