SCHEMBL5320649

SCHEMBL5320649

COc1ccc(C2CC(N3N=C(C4CCCCC4)c4ccccc4N(c4ccc(N)cc4)C3=O)CC(C)(C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CCKBR P32239 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL5327303 0.89 PTH1R (0.39) PTH1RMEN1KMT2AKDM4EALDH1A1
SCHEMBL5319970 0.88 PTH1R (0.43) PTH1RMEN1KMT2AKDM4EALDH1A1
SCHEMBL5319972 0.88 PTH1R (0.43) PTH1RMEN1KMT2AKDM4EALDH1A1
SCHEMBL5324493 0.86 PTH1R (0.58) PTH1RALDH1A1LMNAMAPTCCKBR
SCHEMBL5323824 0.81 PTH1R (0.49) PTH1R
SCHEMBL5330529 0.80 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5320208 0.80 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5325682 0.80 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5320173 0.80 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5321548 0.80 PTH1R (0.52) PTH1RCCKBR

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
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed