SCHEMBL14320798

SCHEMBL14320798

Cc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.46
LMNA P02545 1/20 0.46
CNR1 P21554 5/20 0.45
SIGMAR1 Q99720 1/20 0.45
OPRM1 P35372 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PRKCZ Q05513 1/20 0.42

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
SCHEMBL14996549 0.86 PTGS1 (0.46) CNR2LMNACNR1SIGMAR1OPRM1
SCHEMBL9906369 0.81 CNR2 (0.44) CNR2LMNACNR1L3MBTL1PRKCZ
SCHEMBL14996637 0.80 LMNA (0.50) CNR2LMNACNR1SIGMAR1OPRM1
SCHEMBL3685546 0.80 KDM4E (0.51) CNR2LMNACNR1SIGMAR1OPRM1
SCHEMBL14314274 0.79 PRKCZ (0.55) PRKCZ
SCHEMBL14996548 0.78 LMNA (0.48) CNR2LMNACNR1SIGMAR1OPRM1
SCHEMBL1028147 0.75 LMNA (0.46) CNR2LMNACNR1OPRM1L3MBTL1
SCHEMBL14996676 0.75 SIGMAR1 (0.57) CNR2LMNACNR1SIGMAR1OPRM1
SCHEMBL12859469 0.75 PTGS1 (0.43) CNR2LMNACNR1OPRM1L3MBTL1
SCHEMBL1831047 0.74 RPA1 (0.68) LMNACNR1L3MBTL1

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
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO disclosed