SCHEMBL8970226

SCHEMBL8970226

Cc1cc(C)c2c(c1)N=C1CCCCN1C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.49
BCHE P06276 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
APP P05067 1/20 0.35
UGT2B17 O75795 2/20 0.34

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
SCHEMBL8969036 0.98 ACHE (0.51) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969794 0.85 ACHE (0.60) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8970190 0.85 ACHE (0.57) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969149 0.84 ACHE (0.59) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969382 0.84 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969407 0.81 ACHE (0.51) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969251 0.81 ACHE (0.55) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968183 0.79 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL31197078 0.79 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8970192 0.78 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2

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