SCHEMBL11797339

SCHEMBL11797339

O=C(CBr)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 5/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ ESR1 P03372 1/20 0.47
▸ TTR P02766 3/20 0.45
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ABCC3 O15438 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL7247935 0.91 TTR (0.56) GPR35GSK3BTTRCA12CA1
SCHEMBL11799144 0.90 GSK3B (0.47) GPR35GSK3BESR1TTRCA12
SCHEMBL7365455 0.85 TTR (0.57) GSK3BTTR
SCHEMBL11806426 0.81 GPR35 (0.53) GPR35ESR1TTRCRHBPCRHR2
SCHEMBL11803455 0.81 GPR35 (0.58) GPR35ESR1TTRCRHBPCRHR2
SCHEMBL5526148 0.81 GSK3B (0.57) GPR35GSK3BTTRCA12CA1
SCHEMBL11799318 0.80 GPR35 (0.54) GPR35GSK3BTTRCA1CA2
SCHEMBL6742322 0.77 GSK3B (0.57) GSK3BMEN1KMT2A
SCHEMBL30601737 0.77 GSK3B (0.45) GPR35GSK3BTTRMEN1KMT2A
SCHEMBL4342619 0.77 GSK3B (0.45) GPR35GSK3BTTRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113571628-B Stretchable ionic hydrogels with high thermoelectric potential for low grade heat collection 香港大学 2024-07-19 — — CN disclosed
CN-115023425-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2022-09-06 — — CN disclosed
US-3933472-A Substituted alkylaryl ketones and methods of use as herbicides BUCKMAN LABORATORIES, INC. (US) 1976-01-20 — — US disclosed
Send feedback