SCHEMBL6877352

SCHEMBL6877352

Cc1cc(NC2CCC(NC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
EPHX2 P34913 1/20 0.51
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
IGF1R P08069 2/20 0.45
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL6877349 1.00 EPHX1 (0.56) EPHX1KDM4ELMNASMN1; SMN2EPHX2
SCHEMBL6874008 0.92 SMN1; SMN2 (0.53) EPHX1KDM4ELMNASMN1; SMN2EPHX2
SCHEMBL6874005 0.92 SMN1; SMN2 (0.53) EPHX1KDM4ELMNASMN1; SMN2EPHX2
SCHEMBL6877589 0.88 EPHX1 (0.53) EPHX1EPHX2MAPTIGF1RKIT
SCHEMBL6873823 0.87 LMNA (0.53) EPHX1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL6873829 0.87 LMNA (0.53) EPHX1KDM4ELMNASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL6457766 0.82 NPC1 (0.52) KDM4ELMNASMN1; SMN2MAPTMEN1
Trifluoroacetic Acid SCHEMBL6457569 0.80 KDM4E (0.52) EPHX1KDM4ELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6461174 0.80 SMN1; SMN2 (0.49) KDM4ELMNASMN1; SMN2EPHX2MAPT
Trifluoroacetic Acid SCHEMBL6467228 0.79 LMNA (0.51) KDM4ELMNASMN1; SMN2EPHX2MAPT

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