SCHEMBL2551773

SCHEMBL2551773

O=[N+]([O-])c1c[nH]nc1CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
PRKCQ Q04759 3/20 0.30
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30
TXNRD1 Q16881 1/20 0.30
AR P10275 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL14831147 0.85 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL28026832 0.75 HRH3 (0.31) HRH3
SCHEMBL27658163 0.74 LMNA (0.35) GAASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL22609628 0.74 LMNA (0.35) GAASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL9354801 0.74 LOXL2 (0.35) LMNAALDH1A1KMT2AARGPR35
SCHEMBL2556010 0.74 GAA (0.40) GAAHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL28820809 0.73
SCHEMBL28275491 0.71 PIM3 (0.39) GAASMN1; SMN2LMNAALDH1A1TXNRD1
SCHEMBL23012182 0.71 CCNB2 (0.32)
SCHEMBL2554448 0.71 GPR35 (0.33) GAASMN1; SMN2LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313224-A ATF6 inhibitors and uses thereof 黑带医疗有限责任公司 2021-02-02 CN disclosed
EP-3119775-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
WO-2015140189-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
EP-2900657-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
EP-2556066-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-02-13 EP disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed