SCHEMBL114004

SCHEMBL114004

Cc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 2/20 0.50
RECQL P46063 1/20 0.50
GPR35 Q9HC97 1/20 0.48
CD44 P16070 1/20 0.46
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 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
SCHEMBL5460079 1.00 TSHR (0.64) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
Potassium Ion SCHEMBL28258764 0.91 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL65199 0.84 TDP1 (0.61) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL4625506 0.83 L3MBTL1 (0.69) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL6051840 0.83 TSHR (0.69) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL2056614 0.81 TSHR (0.57) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL29290934 0.81 TSHR (0.74) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL24548 0.78 TDP1 (0.60) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL29448254 0.78 TDP1 (0.60) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL29538967 0.78 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

Appears in 2156 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560774-B Synthesis method of 2-fluoro-3-nitrobenzoic acid 九洲药业(杭州)有限公司 2025-05-06 CN claimed
CN-119775143-A Synthesis method of 2-fluoro-3-nitrobenzoic acid 河北科技大学 2025-04-08 CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-118084798-A Synthesis method of 5-chloro-1H-benzimidazole-7-carboxylic acid 南通大学 2024-05-28 CN claimed
CN-112159325-B Method for synthesizing 2-amino-3-nitrotoluene 浙江工业大学 2022-11-25 CN claimed
CN-112679364-B Synthetic method of dasatinib key raw material 2-chloro-6-methylaniline 山东铂源药业股份有限公司 2022-11-18 CN claimed
CN-114560774-A Synthetic method of 2-fluoro-3-nitrobenzoic acid 瑞博(杭州)医药科技有限公司 2022-05-31 CN claimed
CN-113214041-A Novel method for preparing 3-iodine-2 bromotoluene 河北唯达生物医药产业技术研究有限公司 2021-08-06 CN claimed
CN-112679364-A Synthetic method of dasatinib key raw material 2-chloro-6-methylaniline 山东铂源药业有限公司 2021-04-20 CN claimed
CN-112159325-A Method for synthesizing 2-amino-3-nitrotoluene 浙江工业大学 2021-01-01 CN claimed
CN-86104807-A Carbonylation method 1987-02-25 CN claimed
EP-0157828-A4 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1987-01-22 EP claimed
WO-1986005179-A1 CARBONYLATION PROCESS CATALYTICA ASSOCIATES (US) 1986-09-12 WO claimed
US-4603216-A RUTHENIUM-PHOSPHINE CATALYST CATALYTICA ASSOCIATES (US) 1986-07-29 US claimed
US-4600793-A Process for the preparation of urethanes CATALYTICA ASSOCIATES (US) 1986-07-15 US claimed
EP-0157828-A1 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1985-10-16 EP claimed
WO-1985001285-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1985-03-28 WO claimed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP claimed
US-4246171-A Continuous diazotization process, wherein the rate of addition of inorganic nitrite is automatically controlled by polarovoltric means CIBA-GEIGY CORPORATION (US) 1981-01-20 US claimed
US-3944553-A Bis quinoline peri acids TRW INC. (US) 1976-03-16 US claimed