SCHEMBL8970442

SCHEMBL8970442

CNC(=O)Oc1cc(Cl)c2c(c1)N=C1C=CC=CN1C2

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL8969273 0.78 ACHE (0.38) ALDH1A1MAOAACHE
SCHEMBL8969417 0.78 MAOA (0.36) KDM4ELMNAMAOAACHE
SCHEMBL8969002 0.77 ACHE (0.39) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8969652 0.74
SCHEMBL8969664 0.74 KDM4E (0.30) KDM4EALDH1A1HPGD
SCHEMBL8969286 0.72
SCHEMBL8970095 0.72
SCHEMBL8968531 0.71 ACHE (0.33) ACHE
SCHEMBL8969032 0.70 ACHE (0.31) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8968566 0.70 ACHE (0.32) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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