SCHEMBL8969115

SCHEMBL8969115

O=c1c2c(Cl)cc(Cl)cc2nc2n1C1CCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
HCAR1 Q9BXC0 2/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
LRRK2 Q5S007 2/20 0.32

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
SCHEMBL8969834 0.80 BCHE (0.32)
SCHEMBL13961415 0.67 ALDH1A1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL8968897 0.66 BCHE (0.31)
SCHEMBL15840530 0.65 KDM4E (0.38) MEN1LMNAKMT2AALDH1A1
SCHEMBL8969895 0.64 ALDH1A1 (0.52) MEN1KMT2AALDH1A1
SCHEMBL10298798 0.63 CYP11B2 (0.49) ALDH1A1CCNT1CDK9HRH3LRRK2
SCHEMBL6922778 0.62 MAPT (0.45) MEN1LMNAMAPK1KMT2AALDH1A1
SCHEMBL8968425 0.62 MEN1 (0.55) MEN1LMNAKMT2AALDH1A1
SCHEMBL20061303 0.62 PIK3CD (0.52) ATMDRD1DRD5
SCHEMBL8968481 0.61 KDM4E (0.32) MAPK1

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