SCHEMBL7987589

SCHEMBL7987589

NC(=O)c1c(N)ncn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.50
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 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
SCHEMBL7984755 0.84 LMNA (0.56) ACP1TSHRMEN1KMT2ANPC1
SCHEMBL7987743 0.82 SCD (0.50) ACP1TSHRCYP2C19HTTCYP2C9
SCHEMBL7974026 0.79 KDM4E (0.58) ACP1TSHRHTTMAPK1SMN1; SMN2
SCHEMBL7989385 0.77 PPARG (0.47) ACP1CYP2D6TSHRCYP1A2CYP3A4
SCHEMBL7974058 0.76 TNF (0.50) TSHRCYP2C19HTTCYP1A2CYP3A4
SCHEMBL5483136 0.75 PKM (0.59) ACP1TSHRALDH1A1
SCHEMBL21121703 0.74 ACP1 (0.47) ACP1CYP2D6TSHRCYP2C19HTT
Hydrochloric Acid SCHEMBL7987445 0.73 PKM (0.57) ACP1TSHRALDH1A1
SCHEMBL7984782 0.73 ALDH1A1 (0.43) PPARGMEN1KMT2ANPC1ALDH1A1
SCHEMBL7988530 0.72 SMN1; SMN2 (0.46) TSHRCYP2C19HTTCYP1A2CYP3A4

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