SCHEMBL21140317

SCHEMBL21140317

O=[N+]([O-])c1ccc(COS(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
AKR1C3 P42330 1/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 1/20 0.39
PKM P14618 1/20 0.39
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL26230891 0.87 CYP19A1 (0.40) MEN1KMT2ACA1CA2CYP1A2
SCHEMBL7951541 0.82 ALDH1A1 (0.43) MEN1KMT2ACYP1A2CYP2C19HTT
SCHEMBL8970628 0.80 MMP1 (0.48) IDO1MEN1KMT2ACA12CA1
SCHEMBL20274237 0.77 HSD11B1 (0.57) MEN1KMT2ACA12CA1CA2
SCHEMBL8400160 0.77 MEN1 (0.53) IDO1MEN1KMT2ACA12CA1
SCHEMBL6209541 0.76 IDO1 (0.61) IDO1CA12CA1CA2CA7
SCHEMBL27724423 0.76 HTT (0.55) IDO1MEN1KMT2ACA12CA1
SCHEMBL5912986 0.76 CA2 (0.62) IDO1MEN1KMT2ACA12CA1
Iodobenzene SCHEMBL2901136 0.75 HTT (0.46) MEN1KMT2ACA12CA1CA2
SCHEMBL6115152 0.75 MEN1 (0.50) MEN1KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475995-B1 QUANTUM DOT LIGHT EMITTING DEVICES DOW GLOBAL TECHNOLOGIES LLC (US) 2022-12-21 EP disclosed
US-10818860-B2 Quantum dot light emitting devices ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-10-27 US disclosed
US-20190334106-A1 QUANTUM DOT LIGHT EMITTING DEVICES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2019-10-31 US disclosed
US-20190202975-A1 PROCESS FOR MAKING AN ORGANIC CHARGE TRANSPORTING FILM DOW GLOBAL TECHNOLOGIES LLC (US) 2019-07-04 US disclosed
US-20190198765-A1 PROCESS FOR MAKING AN ORGANIC CHARGE TRANSPORTING FILM DOW GLOBAL TECHNOLOGIES LLC (US) 2019-06-27 US disclosed