SCHEMBL8968825

SCHEMBL8968825

N=c1c2ccc(C(F)(F)F)cc2nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
GLA P06280 4/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
CTSD P07339 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NTRK1 P04629 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL8969532 0.89 KDM4E (0.43) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL28355625 0.83 KDM4E (0.61) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8969253 0.81 HTR6 (0.43) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8969330 0.78 KDM4E (0.59) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8969987 0.78 ALDH1A1 (0.43) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8968964 0.78 KDM4E (0.43) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8968333 0.75 HTR6 (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8969191 0.74 KDM4E (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8969559 0.74 KDM4E (0.62) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL8969541 0.72 ALDH1A1 (0.46) MEN1KMT2AHSD17B10KDM4EALDH1A1

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