SCHEMBL990802

SCHEMBL990802

CCOC(=O)Cc1cc(N2CCN(C)CC2)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK10 P53779 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
AKT1 P31749 2/20 0.42
HTR3A P46098 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL990673 0.86 AKT1 (0.42) SMOMEN1KMT2AMAPK10HRH4
SCHEMBL989945 0.83 HTR3A (0.43) SMOHTR3ARAB9AL3MBTL1
SCHEMBL990764 0.82 MAPT (0.45) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL27658356 0.79 SMO (0.40) SMOMEN1KMT2AMAPK10USP2
SCHEMBL27678426 0.75 HTR3A (0.48) HRH4HTR3A
SCHEMBL990479 0.74 SMO (0.43) SMOMEN1KMT2AMAPK10USP2
SCHEMBL989988 0.74 HTR3A (0.39) SMOHRH4HTR3ARAB9AL3MBTL1
SCHEMBL14558281 0.71 WNT1 (0.49) SMOMEN1KMT2AHRH4USP2
SCHEMBL16829614 0.71 L3MBTL1 (0.48) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL992615 0.71 HTR3A (0.43) SMOHRH4HTR3ARAB9AL3MBTL1

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-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed