SCHEMBL8969079

SCHEMBL8969079

N=c1c2ccc(Cl)cc2nc2n1CCC2

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.89
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
CFTR P13569 1/20 0.42
ALOX15 P16050 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
GOPC Q9HD26 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8968733 0.96 ACHE (0.97) ACHENPC1RAB9APOLBALDH1A1
SCHEMBL8968366 0.94 ACHE (1.00) ACHENPC1RAB9APOLBALDH1A1
SCHEMBL8969679 0.84 ACHE (0.78) ACHEPOLBKDM4EALDH1A1HSD17B10
SCHEMBL8968881 0.83 ACHE (0.80) ACHEPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5511719 0.82 NPC1 (0.65) ACHENPC1RAB9APOLBKDM4E
SCHEMBL3385589 0.78 ACHE (0.67) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL11307987 0.78 ACHE (0.57) ACHERAB9APOLBKDM4EALDH1A1
SCHEMBL8968638 0.78 ACHE (0.69) ACHENPC1RAB9AALDH1A1BCHE
SCHEMBL8969364 0.78 ACHE (0.69) ACHENPC1RAB9AALDH1A1APP
SCHEMBL8969447 0.78 ACHE (0.68) ACHENPC1RAB9APOLBALDH1A1

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