SCHEMBL7975121

SCHEMBL7975121

CC(C)(C)c1ccc(Cn2cnc(N)c2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
NR1H4 Q96RI1 6/20 0.45
EPHX2 P34913 2/20 0.41
SCD O00767 1/20 0.41
F2R P25116 1/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
NR1I2 O75469 1/20 0.39
CCR9 P51686 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ICMT O60725 1/20 0.38

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
Hydrochloric Acid SCHEMBL7984673 0.99 ABCC8 (0.46) ABCC8KCNJ11NR1H4EPHX2SCD
SCHEMBL7991370 0.86 KDM4E (0.51) PKMGAATSHR
SCHEMBL7988530 0.85 SMN1; SMN2 (0.46) SCDPKMGAATSHRCYP11B1
SCHEMBL7987743 0.83 SCD (0.50) SCDPKMGAATSHRCYP11B1
SCHEMBL7987690 0.82 PKM (0.43) PKMGAATSHRCYP11B1CYP11B2
SCHEMBL5483136 0.81 PKM (0.59) PKMGAATSHRCYP11B1CYP11B2
SCHEMBL7987441 0.81 MEN1 (0.49) GAACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7987445 0.80 PKM (0.57) PKMGAATSHRCYP11B1CYP11B2
SCHEMBL7984484 0.80 PKM (0.50) PKMGAATSHRNR1I2CYP11B1
SCHEMBL7984711 0.79 ABCC8 (0.44) ABCC8KCNJ11NR1H4EPHX2SCD

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