SCHEMBL7987693

SCHEMBL7987693

Cc1ccc(Cn2cnc(NC(=O)CN(C)C(=O)OC(C)(C)C)c2C(N)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
CASP6 P55212 1/20 0.33
PAX8 Q06710 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
BUB1 O43683 1/20 0.33
NR3C1 P04150 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7988995 0.92 NR1H4 (0.38) AAK1BUB1CACNA1H
SCHEMBL7984765 0.92 GRM2 (0.36) ALDH1A1LMNAAAK1KMT2ABUB1
SCHEMBL7992102 0.91 HTR2C (0.41) ALDH1A1L3MBTL1KMT2ABUB1KDM4E
SCHEMBL7974052 0.87 KDM4E (0.42) SMN1; SMN2TP53POLBHTTL3MBTL1
SCHEMBL7974433 0.84 TP53 (0.40) TDP1NPC1RAB9ATP53KMT2A
SCHEMBL7989013 0.83 TP53 (0.38) ALDH1A1LMNATP53L3MBTL1KMT2A
SCHEMBL7991771 0.83 KMT2A (0.39) ALDH1A1LMNAKMT2ABUB1KDM4E
SCHEMBL7974264 0.82 HTR2C (0.40) AAK1BUB1GAAHTR2CSLC6A4
SCHEMBL7987776 0.81 KDM4E (0.41) TDP1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL7991770 0.81 HTR2C (0.39) AAK1BUB1GAAHTR2CSLC6A4

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