SCHEMBL7988029

SCHEMBL7988029

NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)ncn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 3/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 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
SCHEMBL7974581 0.95 LMNA (0.51) IDO1ADORA3GAAPKMTSHR
SCHEMBL7975241 0.93 GAA (0.50) ADORA3GAAPKMTSHRNPC1
SCHEMBL7985255 0.90 ALDH1A1 (0.51) IDO1GAAPKMTSHRNPC1
SCHEMBL7974040 0.89 KDM4E (0.51) IDO1ADORA3GAAPKMTSHR
SCHEMBL7985682 0.88 GAA (0.46) GAAPKMTSHRRAB9ASMN1; SMN2
SCHEMBL7984492 0.88 ADORA2A (0.53) ADORA3FLT3
SCHEMBL7974029 0.87 ADORA3 (0.50) ADORA3NPC1RAB9AHDAC1HDAC2
SCHEMBL7973841 0.85 RAB9A (0.47) IDO1GAAPKMTSHRNPC1
SCHEMBL7985708 0.84 NPC1 (0.49) GAAPKMTSHRNPC1RAB9A
SCHEMBL7992192 0.84 HSD17B13 (0.46) IDO1GAAPKMTSHRSMN1; SMN2

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