SCHEMBL8969198

SCHEMBL8969198

O=c1c2ccc(Cl)cc2nc2n1CCCCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.71
POLB P06746 1/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HDAC6 Q9UBN7 1/20 0.66
ALDH1A1 P00352 5/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 3/20 0.63
USP2 O75604 3/20 0.63
ALOX15 P16050 2/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.63
STAT1 P42224 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
GAA P10253 1/20 0.59
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 2/20 0.58

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
SCHEMBL5511719 0.94 NPC1 (0.65) ACHEPOLBMEN1KMT2AHDAC6
SCHEMBL8968275 0.89 ALDH1A1 (0.71) ACHEPOLBMEN1KMT2AHDAC6
SCHEMBL8968942 0.83 ALDH1A1 (0.80) ACHEPOLBMEN1KMT2AHDAC6
SCHEMBL2053429 0.83 ALDH1A1 (0.71) ACHEPOLBMEN1KMT2AHDAC6
SCHEMBL2050608 0.83 MEN1 (0.66) ACHEPOLBMEN1KMT2AHDAC6
SCHEMBL8968366 0.83 ACHE (1.00) ACHEPOLBMEN1KMT2AHDAC6
SCHEMBL8968493 0.83 ACHE (0.71) ACHEPOLBMEN1KMT2AHDAC6
SCHEMBL5519389 0.83 ALDH1A1 (0.70) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL5506562 0.82 RAB9A (0.65) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL6920428 0.82 MEN1 (0.63) ACHEPOLBMEN1KMT2AHDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105272986-A A compound for inhibiting acetylcholinesterase activity, and preparation method and uses thereof XIAMEN MEDICAL COLLEGE 2016-01-27 CN disclosed
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP disclosed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed