SCHEMBL11575191

SCHEMBL11575191

Nc1ccc(Sc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
PDE7A Q13946 6/20 0.53
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
PDE7B Q9NP56 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
USP47 Q96K76 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
SCHEMBL28506022 0.91 TDP1 (0.62) TDP1MEN1KMT2AMAPTPOLB
Fluoride SCHEMBL28506024 0.90 TDP1 (0.60) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL2419394 0.87 PDE7A (0.56) TDP1MEN1KMT2AMAPTPDE7A
SCHEMBL11730953 0.84 PDE7A (0.51) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL19048971 0.81 PDE7A (0.71) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL10451352 0.80 PDE7A (0.47) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL11574501 0.80 PDE7A (0.56) TDP1MEN1KMT2AMAPTPDE7A
SCHEMBL20727298 0.80 MAPK1 (0.51) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL15155301 0.80 PDE7A (0.60) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL1369423 0.80 CES2 (0.53) TDP1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496192-B Preparation method of 4-phenylthio-1, 2-phenylenediamine 山东国邦药业有限公司 2023-09-19 CN disclosed
CN-116496192-A Preparation method of 4-phenylthio-1, 2-phenylenediamine 山东国邦药业有限公司 2023-07-28 CN disclosed
CN-116063212-B Preparation method of 4-phenylthio-1, 2-phenylenediamine 山东国邦药业有限公司 2023-06-27 CN disclosed
CN-116063212-A Preparation method of 4-phenylthio-1, 2-phenylenediamine 山东国邦药业有限公司 2023-05-05 CN disclosed
CN-114716354-B Synthesis method of fenbendazole intermediate 2-nitro-4-thiophenylaniline 山东国邦药业有限公司 2022-08-09 CN disclosed
CN-114716354-A Synthesis method of fenbendazole intermediate 2-nitro-4-thiophenyl aniline 山东国邦药业有限公司 2022-07-08 CN disclosed
CN-111349032-B Preparation method of fenbendazole intermediate 2-nitro-4-thiophenyl aniline 山东国邦药业有限公司 2021-08-06 CN disclosed
CN-111349032-A Preparation method of fenbendazole intermediate 2-nitro-4-thiophenyl aniline 山东国邦药业有限公司 2020-06-30 CN disclosed
US-4127670-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-11-28 US disclosed