SCHEMBL4787110

SCHEMBL4787110

CCOC(=O)n1ncc2c(OC(N)=O)cc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL4787612 0.80 NPC1 (0.47) ELANEKMT2AHPGDNPC1RAB9A
SCHEMBL4787096 0.69 KMT2A (0.39) ELANEKMT2AHPGDKDM4ELMNA
SCHEMBL4215088 0.66 TP53 (0.46) ELANEKMT2AHPGDHSD17B10ALDH1A1
SCHEMBL2304978 0.65 TYRO3 (0.48) ELANELMNAPDGFRACDK5TYRO3
SCHEMBL23115813 0.64 SMN1; SMN2 (0.45) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL4785235 0.63 CREBBP (0.52) ELANEKMT2AHPGDLMNAMAPT
SCHEMBL30457321 0.63 CHEK1 (0.67) ELANEKMT2AHPGDKDM4EHSD17B10
SCHEMBL2356995 0.63 TYRO3 (0.46) ELANELMNAPDGFRACDK5TYRO3
SCHEMBL19249086 0.63 ELANE (0.39) ELANEKMT2ANPC1RAB9A
SCHEMBL15110983 0.62 KDM4E (0.34) KMT2AHPGDKDM4EMAPTPKM

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-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO disclosed