SCHEMBL7987743

SCHEMBL7987743

NC(=O)c1c(N)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.50
TSHR P16473 2/20 0.47
ADRA1D P25100 1/20 0.46
ACP1 P24666 1/20 0.45
MAPK1 P28482 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
KCNH2 Q12809 1/20 0.41
LMNA P02545 2/20 0.41
XBP1 P17861 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC4 P56524 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL7987690 0.87 PKM (0.43) TSHRCYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL16076196 0.87 SCD (0.49) SCDTSHRACP1MAPK1CYP11B1
SCHEMBL7988530 0.87 SMN1; SMN2 (0.46) SCDTSHRCYP11B1CYP11B2HTT
SCHEMBL5483136 0.86 PKM (0.59) TSHRADRA1DACP1CYP11B1CYP11B2
SCHEMBL18050890 0.85 SCD (0.56) SCDTSHRADRA1DACP1MAPK1
Hydrochloric Acid SCHEMBL7987445 0.85 PKM (0.57) TSHRADRA1DACP1CYP11B1CYP11B2
SCHEMBL2145728 0.85 SCD (0.50) SCDTSHRADRA1DACP1MAPK1
SCHEMBL7974026 0.85 KDM4E (0.58) TSHRADRA1DACP1MAPK1CYP11B1
SCHEMBL7984484 0.84 PKM (0.50) TSHRADRA1DCYP11B1CYP11B2HTT
Hydrochloric Acid SCHEMBL7991220 0.84 PKM (0.42) SCDTSHRMAPK1CYP11B1PKM

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