SCHEMBL8968872

SCHEMBL8968872

N=c1c2c(Cl)cc(Cl)cc2nc2c(Cl)cccn12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE10A Q9Y233 1/20 0.31
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 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
SCHEMBL8968363 0.87 KDM4E (0.40) PTPN1KDM4EALDH1A1GLAPOLB
SCHEMBL8968984 0.87 PDE2A (0.36) PTPN1KDM4EALDH1A1GLAPOLB
SCHEMBL8968968 0.79 KDM4E (0.53) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL8969226 0.76 KDM4E (0.38) PTPN1KDM4EALDH1A1GLAPOLB
SCHEMBL8970270 0.73 HTR6 (0.41) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL8969355 0.72 HTR6 (0.41) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL8969266 0.72 CYP11B1 (0.34) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL8969345 0.70 NR1H4 (0.39) KDM4EALDH1A1POLBGAANPC1
SCHEMBL8969480 0.70 HTR6 (0.39) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL23917098 0.67 PTPN1 (0.53) PTPN1KDM4EALDH1A1GLAGAA

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