SCHEMBL441687

SCHEMBL441687

CCOC(=O)c1cnc2ccc(Cl)cc2c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
MAPK10 P53779 1/20 0.62
MAPT P10636 8/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 4/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
NMT2 O60551 1/20 0.49
NMT1 P30419 1/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1367417 0.87 MEN1 (0.65) KMT2AMEN1MAPK10MAPTGAA
SCHEMBL438198 0.87 MAPK1 (0.63) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL437947 0.86 KMT2A (0.53) KMT2AMEN1MAPK10MAPTGAA
SCHEMBL10991178 0.86 MEN1 (0.64) KMT2AMEN1MAPK10MAPTGAA
SCHEMBL30900718 0.86 MEN1 (0.64) KMT2AMEN1MAPK10MAPTGAA
SCHEMBL27252854 0.86 MEN1 (0.64) KMT2AMEN1MAPK10MAPTGAA
SCHEMBL439008 0.85 NMT2 (0.60) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL439271 0.85 MAPK1 (0.65) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL437781 0.85 MAPT (0.61) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL438203 0.84 MAPT (0.62) KMT2AMEN1MAPTGAAKDM4E

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed