SCHEMBL7989347

SCHEMBL7989347

Cc1cc(C)cc(Cn2cnc(N)c2C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
PARP10 Q53GL7 1/20 0.38
PKM P14618 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.35
SCD O00767 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ADRA1D P25100 1/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.33
P2RY14 Q15391 1/20 0.33
RPS6KB1 P23443 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL7975372 0.86 ALDH1A1 (0.51) CYP11B1CYP11B2PKMGAATSHR
SCHEMBL7988530 0.85 SMN1; SMN2 (0.46) CYP11B1CYP11B2PARP10PKMGAA
SCHEMBL7987927 0.80 HSP90AA1 (0.53) TSHRALDH1A1KMT2A
SCHEMBL5483136 0.79 PKM (0.59) CYP11B1CYP11B2PKMGAATSHR
SCHEMBL7974058 0.78 TNF (0.50) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL7985495 0.78 CYP11B1 (0.39) CYP11B1CYP11B2PARP10TSHRLMNA
SCHEMBL7987743 0.78 SCD (0.50) CYP11B1CYP11B2PKMGAATSHR
Hydrochloric Acid SCHEMBL7987445 0.78 PKM (0.57) CYP11B1CYP11B2PKMGAATSHR
SCHEMBL7987245 0.77 ROCK2 (0.47) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7985719 0.77 GAA (0.41) PARP10PKMGAATSHRLMNA

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