SCHEMBL8317157

SCHEMBL8317157

COc1cccc(C(O)(c2cccc(OC)c2)C2CCN(CCCN3Cc4nnc(C)n4-c4ccccc43)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 5/20 0.41
KCNH2 Q12809 3/20 0.40
NPY2R P49146 1/20 0.40
PAX8 Q06710 1/20 0.38

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
SCHEMBL8314774 0.98 CYP2J2 (0.47) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8316037 0.90 HRH1 (0.46) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8315487 0.88 CYP2J2 (0.39) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8312317 0.88 HRH1 (0.48) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8313333 0.88 HRH1 (0.43) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8315418 0.85 PAX8 (0.40) CYP2J2HRH1KCNH2PAX8
SCHEMBL8317297 0.83 HRH1 (0.39) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8315211 0.83 HRH1 (0.46) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8523260 0.79 HRH1 (0.37) CYP2J2MEN1KMT2AHRH1KCNH2
SCHEMBL8317429 0.79 HRH1 (0.39) CYP2J2MEN1KMT2AHRH1KCNH2

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-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed