SCHEMBL9628070

SCHEMBL9628070

O=[N+]([O-])c1cccc(COCl)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
MAOB P27338 3/20 0.57
MAOA P21397 1/20 0.57
LMNA P02545 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
F2 P00734 1/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
CA12 O43570 1/20 0.50
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL1767329 0.85 TSHR (0.65) TSHRMAOBMAOALMNAKMT2A
SCHEMBL791926 0.84 TSHR (0.62) TSHRMAOBMAOALMNAKMT2A
SCHEMBL11503161 0.83 TSHR (0.67) TSHRMAOBMAOALMNAKMT2A
SCHEMBL4798585 0.82 TSHR (0.61) TSHRMAOBMAOALMNAKMT2A
SCHEMBL402251 0.82 IDO1 (0.62) TSHRMAOBMAOALMNAF2
SCHEMBL5717162 0.82 TSHR (0.61) TSHRMAOBMAOALMNAKMT2A
SCHEMBL20337575 0.82 TSHR (0.61) TSHRMAOBMAOALMNAKMT2A
SCHEMBL10889169 0.81 TSHR (0.60) TSHRMAOBMAOALMNAKMT2A
SCHEMBL6599866 0.81 MAOB (0.68) TSHRMAOBMAOALMNAKMT2A
SCHEMBL6251727 0.81 TSHR (0.59) TSHRMAOBMAOALMNAKMT2A

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-110381854-A METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS 考恩特兰有限公司 2019-10-25 CN claimed
CN-106045802-B A kind of alicyclic and araliphatic chloro-formate preparation method 长江大学 2019-02-01 CN claimed
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
CN-110381854-A METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS 考恩特兰有限公司 2019-10-25 CN disclosed
CN-110179777-A Medical composition comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-08-30 CN disclosed
CN-105142627-B Pharmaceutical compositions comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-06-21 CN disclosed
CN-106045802-B A kind of alicyclic and araliphatic chloro-formate preparation method 长江大学 2019-02-01 CN disclosed
US-5081296-A Fiber-Reactive Dyes Intermediates CIBA-GEIGY CORPORATION (US) 1992-01-14 US disclosed