SCHEMBL18155746

SCHEMBL18155746

Cc1cc(C)n(CCNO)n1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.58
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.50
PKM P14618 1/20 0.49
POLB P06746 2/20 0.46
APAF1 O14727 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL6751312 0.84 GLS (0.62) GLSKDM4EALDH1A1LMNAGLA
SCHEMBL13006677 0.82 GLS (0.60) GLSKDM4EALDH1A1LMNAGLA
SCHEMBL17489160 0.81 GLS (0.75) GLSKDM4EALDH1A1LMNAGLA
SCHEMBL18141977 0.80 KDM4E (0.61) GLSKDM4EALDH1A1LMNAPKM
SCHEMBL10293302 0.79 GLS (0.56) GLSKDM4EALDH1A1LMNAGLA
SCHEMBL16254580 0.79 KDM4E (0.55) GLSKDM4EALDH1A1LMNAPKM
SCHEMBL22267957 0.78 GLS (0.55) GLSKDM4EALDH1A1LMNAGLA
SCHEMBL621968 0.78 GLS (0.64) GLSKDM4EALDH1A1LMNAGLA
SCHEMBL10310266 0.78 GLS (0.50) GLSKDM4EALDH1A1LMNAGLA
SCHEMBL18157878 0.77 GLS (0.69) GLSKDM4EALDH1A1LMNAGLA

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-2895482-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed