SCHEMBL7717749

SCHEMBL7717749

NCC1(C(=O)Nc2ccncc2)CCC(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NT5E P21589 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.41
NAMPT P43490 2/20 0.41
MGLL Q99685 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7717745 1.00 KMT2A (0.47) KMT2ANT5ENPC1RAB9AMEN1
SCHEMBL2908400 0.70 KMT2A (0.56) KMT2ANT5ENPC1RAB9AMEN1
SCHEMBL7479134 0.69 ROCK2 (0.56) KMT2ARAB9AMEN1MAPK1NAMPT
SCHEMBL7479130 0.69 ROCK2 (0.56) KMT2ARAB9AMEN1MAPK1NAMPT
SCHEMBL5458619 0.68 KDM4E (0.67) KMT2ANT5EMEN1MAPK1NAMPT
Hydrochloric Acid SCHEMBL29928336 0.67 LMNA (0.50) NPC1RAB9ALMNAL3MBTL1NPSR1
(4-Chlorophenyl)(Cyclopropyl)Methanone SCHEMBL392801 0.67 MGLL (0.68) KMT2AMEN1MGLLLMNATP53
SCHEMBL12893507 0.67 MGLL (0.71) KMT2AMEN1MGLL
SCHEMBL5473986 0.67 KDM4E (0.65) KMT2ANT5EMAPK1NAMPTLMNA
SCHEMBL1554314 0.66 RAB9A (0.44) RAB9ANAMPTLMNATP53GLA

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-1177796-A1 PREVENTIVES/REMEDIES FOR LIVER DISEASES Mitsubishi Pharma Corporation (JP) 2002-02-06 EP disclosed