SCHEMBL7974205

SCHEMBL7974205

CCCCCCOc1cccc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.52
SMPD1 P17405 3/20 0.52
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ADRB2 P07550 1/20 0.46
THRB P10828 1/20 0.46
PLA2G4B P0C869 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
KAT6A Q92794 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
SCHEMBL7984687 0.96 NR1H4 (0.52) NR1H4SMPD1ALDH1A1MEN1KMT2A
SCHEMBL7984965 0.90 ALDH1A1 (0.57) NR1H4ALDH1A1MEN1KMT2A
SCHEMBL7984937 0.87 ADORA3 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL7987486 0.82 KDM4E (0.48) MEN1KMT2A
SCHEMBL7985340 0.81 NTRK1 (0.51) MEN1KMT2A
SCHEMBL7974265 0.81 MCHR1 (0.47) MEN1KMT2A
SCHEMBL7973996 0.78 POLB (0.49) SMPD1ALDH1A1MEN1KMT2A
SCHEMBL7988231 0.78 NPC1 (0.47) KMT2A
SCHEMBL7974040 0.78 KDM4E (0.51) ALDH1A1
SCHEMBL7987935 0.78 XDH (0.47) ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed