SCHEMBL7974040

SCHEMBL7974040

NC(=O)c1c(NC(=O)c2ccccc2)ncn1Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.50
NTRK1 P04629 1/20 0.48
ADORA2A P29274 2/20 0.48
P2RY14 Q15391 1/20 0.46
YTHDC1 Q96MU7 2/20 0.46
IDO1 P14902 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2B P29275 1/20 0.44
ADRA1D P25100 1/20 0.44
HSD17B13 Q7Z5P4 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
ADORA1 P30542 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
SCHEMBL7984492 0.95 ADORA2A (0.53) KDM4EALDH1A1ADORA2AYTHDC1ADORA3
SCHEMBL7975241 0.91 GAA (0.50) NTRK1ADORA2AYTHDC1NPC1RAB9A
SCHEMBL7992620 0.89 NPC1 (0.53) KDM4EALDH1A1YTHDC1NPC1RAB9A
SCHEMBL7974581 0.89 LMNA (0.51) ALDH1A1IDO1NPC1RAB9AADORA3
SCHEMBL7988029 0.89 IDO1 (0.47) IDO1NPC1RAB9AADORA3HSD17B13
SCHEMBL7988506 0.87 NTRK1 (0.48) KDM4EALDH1A1NTRK1P2RY14YTHDC1
SCHEMBL7985375 0.86 KDM4E (0.47) KDM4EALDH1A1YTHDC1RAB9AADORA3
SCHEMBL7985033 0.85 NLRP3 (0.46) KDM4EALDH1A1NTRK1YTHDC1NPC1
SCHEMBL7984200 0.85 SMN1; SMN2 (0.53) ALDH1A1NPC1RAB9AADORA3HSD17B13
SCHEMBL7985070 0.85 P2RY14 (0.48) KDM4EALDH1A1P2RY14ADORA3KCNK3

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