SCHEMBL4230769

SCHEMBL4230769

COc1cc(OC)nc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)n1.COc1cc(OC)nc(NC2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.53
KDM1A O60341 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
ACHE P22303 4/20 0.38
BACE1 P56817 2/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MCHR1 Q99705 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
NSD2 O96028 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
ROCK2 O75116 2/20 0.36
CXCR3 P49682 1/20 0.36
ROCK1 Q13464 1/20 0.35

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
SCHEMBL3771840 0.94 SSTR5 (0.58) SSTR5KDM1AEHMT2RCOR1ACHE
SCHEMBL4227836 0.89 SSTR5 (0.54) SSTR5KDM1AEHMT2RCOR1ACHE
SCHEMBL4224514 0.87 SSTR5 (0.45) SSTR5KDM1AEHMT2RCOR1ACHE
SCHEMBL3772004 0.87 SSTR5 (0.52) SSTR5KDM1AEHMT2RCOR1ACHE
SCHEMBL4240279 0.83 SSTR5 (0.50) SSTR5ACHEBACE1ALDH1A1ROCK2
SCHEMBL3782984 0.82 SSTR5 (0.59) SSTR5KDM1AEHMT2RCOR1ACHE
SCHEMBL4222888 0.81 EHMT2 (0.49) SSTR5KDM1AEHMT2RCOR1NSD2
SCHEMBL4225976 0.80 SSTR5 (0.54) SSTR5ACHEBACE1SIGMAR1NSD2
SCHEMBL1748288 0.80 SSTR5 (0.53) SSTR5ACHEBACE1ALDH1A1MCHR1
SCHEMBL3775060 0.80 SSTR5 (0.49) SSTR5KDM1AEHMT2RCOR1ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed