SCHEMBL8969680

SCHEMBL8969680

CNC(=O)Oc1cc(Cl)c2c(=N)n3c(nc2c1)C1CC2CC(C1)CC3C2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPT P10636 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL8969750 0.81 MAOA (0.37) SMN1; SMN2LMNAACHE
SCHEMBL8968480 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8968360 0.80 MAOA (0.37) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8968897 0.78 BCHE (0.31) ACHE
SCHEMBL8969011 0.76
SCHEMBL8970053 0.73 ACHE (0.38) NPC1ACHE
SCHEMBL8969928 0.73 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8969811 0.70
SCHEMBL8969363 0.69
SCHEMBL8968293 0.69

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