SCHEMBL6651163

SCHEMBL6651163

O=[N+]([O-])c1cccc2c1N(Br)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.41
GPR35 Q9HC97 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GSK3B P49841 1/20 0.38

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
Quinoline SCHEMBL28318176 0.83 POLB (0.46) LMNAALDH1A1RAB9ACYP1A2CYP2C9
SCHEMBL9800936 0.80 LMNA (0.47) LMNAHPGDALDH1A1CYP3A4ALOX15
SCHEMBL16284295 0.80 HTR2A (0.44) LMNAHPGDALDH1A1CYP3A4ALOX15
SCHEMBL28208186 0.80 ALDH1A1 (0.46) LMNAHPGDALDH1A1CYP3A4ALOX15
SCHEMBL27982520 0.80 LMNA (0.43) LMNAHPGDALDH1A1CYP3A4ALOX15
SCHEMBL31303745 0.80 ACHE (0.48) LMNAHPGDALDH1A1CYP3A4ALOX15
SCHEMBL13002995 0.78 HPGD (0.46) LMNAHPGDALDH1A1RAB9AGPR35
SCHEMBL24351653 0.76 HPGD (0.44) LMNAHPGDALDH1A1CYP3A4ALOX15
SCHEMBL27796854 0.76 HPGD (0.47) LMNAHPGDALDH1A1RAB9AGPR35
SCHEMBL27920185 0.76 ALDH1A1 (0.43) LMNAHPGDALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104073045-A Application of halogenated indole and derivatives thereof as marine antifouling agent YANTAI INST COASTAL ZONE RES CAS 2014-10-01 CN claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
CN-108366979-A Compounds and pharmaceutical compositions relating to ubiquitination-proteasome system 台北医学大学 2018-08-03 CN disclosed
CN-107530395-A Method for producing drug-related peptides 康德生物医疗技术公司 2018-01-02 CN disclosed
CN-107108640-A Synthesis of Bruton's Tyrosine Kinase Inhibitors 药品循环有限责任公司 2017-08-29 CN disclosed
CN-104073045-A Application of halogenated indole and derivatives thereof as marine antifouling agent YANTAI INST COASTAL ZONE RES CAS 2014-10-01 CN disclosed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed