SCHEMBL8970445

SCHEMBL8970445

Clc1ccc2c(c1Cl)N=C1C=CC=CN1C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
NOTUM Q6P988 1/20 0.32
PNMT P11086 3/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8969371 0.81 ACHE (0.43) KDM4ELMNANOTUMALDH1A1POLB
SCHEMBL8969847 0.78 KDM4E (0.35) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969671 0.75 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969217 0.75 PDE3B (0.43) KDM4EPNMTALDH1A1POLBHPGD
SCHEMBL8969427 0.73 KDM4E (0.35) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL8969342 0.73
SCHEMBL8970477 0.73 KDM4E (0.32) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8968375 0.73
SCHEMBL8968478 0.72 ACHE (0.43) KDM4EPNMTALDH1A1POLBHPGD
SCHEMBL8969179 0.72 KDM4E (0.34) KDM4ELMNAALDH1A1POLBHPGD

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