SCHEMBL8969120

SCHEMBL8969120

Brc1ccc2c(c1)N=C1C=CC=CN1C2

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PNMT P11086 1/20 0.30
ASIC3 Q9UHC3 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
SCHEMBL8969494 0.88 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969486 0.81 MAPK1 (0.34) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8968650 0.81 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8968478 0.81 ACHE (0.43) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969644 0.78 CTSD (0.44) PNMT
SCHEMBL8970367 0.78 HTR7 (0.31)
SCHEMBL8969718 0.75 KDM4E (0.30) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969712 0.74 KDM4E (0.32) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL8969297 0.74
SCHEMBL8969815 0.73

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