SCHEMBL7988017

SCHEMBL7988017

CC(C)(C)c1ccc(Cn2cnc3[nH]c(-c4cccc(C(F)(F)F)c4)nc(=O)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 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
HPGD P15428 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
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCR2 P25025 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
SCHEMBL7984975 0.90 CXCR2 (0.53) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL7992270 0.90 ABCC8 (0.43) ABCC8KCNJ11HDAC1HDAC6GRIN1
SCHEMBL7991403 0.89 ABCC8 (0.43) KDM4ENPC1ALDH1A1PKMHPGD
SCHEMBL7985012 0.89 ABCC8 (0.43) HTTSMN1; SMN2CXCR2ABCC8KCNJ11
SCHEMBL7974282 0.88 ABCC8 (0.43) ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7974492 0.87 ABCC8 (0.47) MEN1ALDH1A1HPGDHTTKMT2A
SCHEMBL7984474 0.87 ABCC8 (0.42) ABCC8KCNJ11HDAC6
SCHEMBL7985602 0.86 SERPINE1 (0.45) ABCC8KCNJ11HDAC1HDAC6MAPT
SCHEMBL7987953 0.85 PDE2A (0.46) MEN1ALDH1A1KMT2ASMN1; SMN2CXCR2
SCHEMBL7988015 0.85 HPGD (0.43) KDM4EMEN1NPC1ALDH1A1CYP1A2

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