SCHEMBL27716643

SCHEMBL27716643

C=C(C(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 2/20 0.36
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CCKBR P32239 1/20 0.34
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL27696887 0.86 HPGD (0.47) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL27570719 0.84 ALDH1A1 (0.45) CES2MAPTALDH1A1MEN1KMT2A
SCHEMBL1317836 0.83 ABCB1 (0.39) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL27615398 0.82 CES2 (0.39) CES2MAPTALDH1A1KMT2AMAPK1
SCHEMBL17875619 0.80 CES2 (0.53) CES2ABCB1ABCC1MAPTALDH1A1
SCHEMBL27834938 0.80 ATM (0.41) MAPTALDH1A1SMN1; SMN2
SCHEMBL27700395 0.80 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL27696821 0.79 ABCB1 (0.38) CES2ABCB1MAPTALDH1A1MAPK1
SCHEMBL28818852 0.78 SIRT6 (0.54) MAPTALDH1A1MAPK1
SCHEMBL28043906 0.78 MAPT (0.34) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104684554-A Derivatives of azaindazole or diazaindazole type for treating pain PF MEDICAMENT 2015-06-03 CN disclosed
CN-103923072-A Substituted Indazole Derivatives Active As Kinase Inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-07-16 CN disclosed
CN-101754956-B Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-04-23 CN disclosed
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101754956-A Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2010-06-23 CN disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed