SCHEMBL8968935

SCHEMBL8968935

COc1cc2nc3ccccn3c(=N)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
NQO2 P16083 1/20 0.44
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 9/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
WHR1 P49842 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
GLA P06280 5/20 0.41
GAA P10253 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL8969191 0.81 KDM4E (0.44) HTR6NQO2ALDH1A1KDM4EMAPT
SCHEMBL8969559 0.78 KDM4E (0.62) HTR6ALDH1A1KDM4EMAPTNPSR1
SCHEMBL8969565 0.77 HTR6 (0.43) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL8968284 0.77 PDE3B (0.43) HTR6ALDH1A1KDM4EMAPTNPSR1
SCHEMBL8968998 0.77 ALDH1A1 (0.46) HTR6NQO2ALDH1A1KDM4EMAPT
SCHEMBL8969987 0.77 ALDH1A1 (0.43) HTR6NQO2ALDH1A1KDM4EMAPT
SCHEMBL8969858 0.75 HTR6 (0.43) HTR6ALDH1A1KDM4EMAPTLMNA
SCHEMBL8969849 0.74 ALDH1A1 (0.41) HTR6ALDH1A1KDM4EMAPTNPSR1
SCHEMBL8969541 0.74 ALDH1A1 (0.46) HTR6ALDH1A1KDM4EMAPTNPSR1
SCHEMBL8969330 0.74 KDM4E (0.59) HTR6ALDH1A1KDM4EMAPTNPSR1

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