SCHEMBL8968481

SCHEMBL8968481

O=c1c2c(Cl)cc(Cl)cc2nc2n1C1=CC=C2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
MAT2A P31153 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
IDO2 Q6ZQW0 1/20 0.30
EGFR P00533 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
SCHEMBL8968487 1.00 KDM4E (0.32) KDM4EMAPK1MAT2AIDO1TDO2
SCHEMBL15840530 0.66 KDM4E (0.38) KDM4E
SCHEMBL30639058 0.64 APAF1 (0.53) KDM4EIDO1TDO2IDO2
SCHEMBL8969834 0.62 BCHE (0.32)
SCHEMBL8969895 0.62 ALDH1A1 (0.52) KDM4E
SCHEMBL8969115 0.61 ATM (0.36) MAPK1
SCHEMBL31382855 0.61 APAF1 (0.49) IDO1TDO2IDO2
SCHEMBL31382846 0.61 CHEK1 (0.67) KDM4EIDO1TDO2IDO2
SCHEMBL15836406 0.59 SMN1; SMN2 (0.34) MAT2A
SCHEMBL19992072 0.58 PARP1 (0.66) KDM4E

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