SCHEMBL7719087

SCHEMBL7719087

CCc1c(OCCCBr)c(OC)cc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
LMNA P02545 2/20 0.36
TNF P01375 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
PLAU P00749 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL7718548 0.81 CYP2D6 (0.50) PKMLMNAKDM4ESMN1; SMN2HTT
SCHEMBL5966224 0.79 PKM (0.79) PKMCTSVCTSLLMNALCK
SCHEMBL7830300 0.77 PKM (0.75) PKMCTSVCTSLLMNALCK
SCHEMBL27906227 0.75 POLB (0.49) PKMLMNALCKFYNKDM4E
SCHEMBL890810 0.73 PKM (1.00) PKMCTSVCTSLLMNALCK
SCHEMBL6437918 0.72 KDM4E (0.52) PKMLMNAKDM4ESMN1; SMN2HTT
SCHEMBL16689291 0.72 PKM (0.76) PKMCTSVCTSLLMNALCK
SCHEMBL3842143 0.72 PKM (0.55) PKMCTSVCTSLLMNASMN1; SMN2
SCHEMBL1675659 0.72 PKM (0.55) PKMLMNALCKFYNKDM4E
SCHEMBL2681693 0.71 PKM (0.78) PKMCTSVCTSLLMNALCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed