SCHEMBL8968706

SCHEMBL8968706

COc1cc2c(cc1OC)N=C1C=CC=CN1C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
SLC6A4 P31645 1/20 0.35
CTSD P07339 1/20 0.34
BRD4 O60885 1/20 0.33
PDE4D Q08499 1/20 0.32
CA7 P43166 1/20 0.31
EHMT2 Q96KQ7 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
RAD52 P43351 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
SCHEMBL8969712 0.76 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL8969457 0.75 DRD1 (0.33)
SCHEMBL8969461 0.75 DRD1 (0.33) CYP3A4ALDH1A1
SCHEMBL8969143 0.75
SCHEMBL8969612 0.74 PDE3B (0.34) KDM4EALDH1A1GAA
SCHEMBL8969417 0.73 MAOA (0.36) MAOAKDM4E
SCHEMBL8969085 0.72 NPC1 (0.34) CYP3A4MAOBCTSDKDM4EALDH1A1
SCHEMBL8969494 0.71 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL8968478 0.71 ACHE (0.43) CTSDKDM4EALDH1A1
SCHEMBL8969486 0.71 MAPK1 (0.34) KDM4EALDH1A1

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