SCHEMBL16168697

SCHEMBL16168697

Cc1ccc2c(c1)C1C=CCC1C(c1cccnc1)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPK1 P28482 1/20 0.54
MCL1 Q07820 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 6/20 0.53
POLB P06746 2/20 0.53
RECQL P46063 2/20 0.53
PKM P14618 1/20 0.53
GAPDH P04406 1/20 0.52
HSPA1A P0DMV8 1/20 0.52
APEX1 P27695 1/20 0.52
PTPN7 P35236 1/20 0.52

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
SCHEMBL10022355 0.87 MAPT (0.52) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17464564 0.84 CA12 (0.68) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17458754 0.84 CA12 (0.68) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15213476 0.82 USP7 (0.77) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5521706 0.79 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5522483 0.79 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL16406026 0.76 MAPT (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL14979491 0.76 CYBB (0.84) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL16406038 0.76 CYBB (0.55) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL16406025 0.76 MAPT (0.61) MAPTKDM4EMEN1KMT2AALDH1A1

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-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed