SCHEMBL6877186

SCHEMBL6877186

CCOc1ccccc1NC(=O)NC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPK14 Q16539 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
GAA P10253 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
P2RY1 P47900 1/20 0.42

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
SCHEMBL6877173 1.00 KMT2A (0.46) KMT2AMAPK14LMNAALDH1A1ALOX12
SCHEMBL6876029 0.89 LMNA (0.60) KMT2AMAPK14LMNAALDH1A1ALOX12
SCHEMBL6876015 0.89 LMNA (0.60) KMT2AMAPK14LMNAALDH1A1ALOX12
SCHEMBL6877409 0.87 KMT2A (0.56) KMT2AMAPK14MEN1SMN1; SMN2CDK2
SCHEMBL6877414 0.87 KMT2A (0.56) KMT2AMAPK14MEN1SMN1; SMN2CDK2
SCHEMBL6872853 0.85 EPHX2 (0.47) KMT2AMAPK14MEN1SMN1; SMN2
SCHEMBL6872847 0.85 EPHX2 (0.47) KMT2AMAPK14MEN1SMN1; SMN2
SCHEMBL6872289 0.85 KMT2A (0.47) KMT2AMAPK14MEN1SMN1; SMN2KDM4E
SCHEMBL6872291 0.85 KMT2A (0.47) KMT2AMAPK14MEN1SMN1; SMN2KDM4E
SCHEMBL6873169 0.85 MCHR1 (0.42) KMT2AMAPK14MEN1SMN1; SMN2CDK2

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed