SCHEMBL2013896

SCHEMBL2013896

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 6/20 0.48
HTT P42858 2/20 0.48
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 7/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL2013318 0.91 L3MBTL1 (0.53) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL2016804 0.90 SLC6A7 (0.47) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL2013930 0.88 AKR1C3 (0.43) MAPTSMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL2012500 0.88 MAPT (0.52) MAPTSMN1; SMN2HTTCYP3A4CYP2D6
SCHEMBL2014280 0.87 MEN1 (0.52) MAPTSMN1; SMN2HTTCYP3A4CYP2C9
SCHEMBL2015083 0.85 ALDH1A1 (0.54) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL2015986 0.83 L3MBTL1 (0.48) MAPTSMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL2163234 0.83 MAPT (0.54) MAPTSMN1; SMN2HTTCYP3A4CYP2D6
SCHEMBL2015058 0.81 GBA1 (0.45) MAPTSMN1; SMN2HTTCYP3A4CYP2D6
SCHEMBL2011899 0.81 ALDH1A1 (0.44) MAPTSMN1; SMN2HTTCYP3A4CYP2C9

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed