SCHEMBL8969532

SCHEMBL8969532

N=c1c2cc(C(F)(F)F)ccc2nc2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GLA P06280 4/20 0.43
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NTRK1 P04629 2/20 0.42
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPBWR1 P48145 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
DHODH Q02127 1/20 0.38
THRB P10828 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
SCHEMBL8968825 0.89 MEN1 (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969541 0.81 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969938 0.78 KDM4E (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968953 0.78 KDM4E (0.63) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968998 0.78 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL28355625 0.75 KDM4E (0.61) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8968924 0.75 HTR6 (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969191 0.74 KDM4E (0.44) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969559 0.74 KDM4E (0.62) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL8969253 0.72 HTR6 (0.43) KDM4EALDH1A1GLAGAASMN1; 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