SCHEMBL7988015

SCHEMBL7988015

CC(C)(C)c1ccc(Cn2cnc3nc(-c4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
STAT6 P42226 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ABCC8 Q09428 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
SCHEMBL7984971 0.90 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7992261 0.90 TNKS (0.43) HPGDALDH1A1SMN1; SMN2KMT2AABCC8
SCHEMBL7985008 0.89 ABCC8 (0.43) HPGDALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL7991397 0.89 ABCC8 (0.43) HPGDALDH1A1SMN1; SMN2KMT2AABCC8
SCHEMBL7974275 0.88 HPGD (0.43) HPGDALDH1A1SMN1; SMN2KMT2AABCC8
SCHEMBL7974486 0.87 SMN1; SMN2 (0.50) HPGDALDH1A1SMN1; SMN2KMT2AABCC8
SCHEMBL7984466 0.86 HPGD (0.42) HPGDALDH1A1SMN1; SMN2KMT2AABCC8
SCHEMBL7985594 0.86 GAA (0.48) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL7987948 0.85 SMN1; SMN2 (0.50) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7988017 0.85 KDM4E (0.43) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E

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