SCHEMBL6314599

SCHEMBL6314599

O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.68
HTT P42858 2/20 0.68
GAA P10253 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MAPT P10636 4/20 0.64
POLB P06746 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
CES2 O00748 2/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
VCAM1 P19320 1/20 0.54
TP53 P04637 2/20 0.53
MEN1 O00255 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
Phosphoric Acid SCHEMBL27580559 0.94 MAPK1 (0.62) MAPK1HTTGAANPSR1MAPT
SCHEMBL27874702 0.93 MAPK1 (0.61) MAPK1HTTGAANPSR1MAPT
SCHEMBL10902732 0.89 MAPK1 (0.63) MAPK1HTTGAANPSR1MAPT
Trifluoromethanesulfonic Acid SCHEMBL27457275 0.88 MAPK1 (0.56) MAPK1HTTGAANPSR1MAPT
SCHEMBL1149258 0.88 MAPK1 (0.72) MAPK1HTTGAANPSR1MAPT
SCHEMBL3661954 0.88 NPSR1 (0.64) MAPK1HTTGAANPSR1MAPT
SCHEMBL16922169 0.88 NPSR1 (0.64) MAPK1HTTGAANPSR1MAPT
Phosphine SCHEMBL28235319 0.86 NPSR1 (0.62) MAPK1HTTGAANPSR1MAPT
Urethane SCHEMBL27639753 0.85 MAPT (0.65) MAPK1HTTGAANPSR1MAPT
SCHEMBL9440478 0.85 MAPK1 (0.69) MAPK1HTTGAANPSR1MAPT

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101152185-B Use of heterocyclic compounds as SCCE inhibitors AREXIS AB 2010-12-08 CN claimed
CN-100518740-C Pharmaceutical use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2009-07-29 CN claimed
CN-100354630-C Reagent for testing calcium in sample and test method thereof SHINO CLINICAL DIAGNOSIS PRODU (JP) 2007-12-12 CN claimed
CN-1087934-C Use of phenalkylamines HOFFMANN LA ROCHE (CH) 2002-07-24 CN claimed
CN-1103781-A Use of phenalkylamines HOFFMANN LA ROCHE (CH) 1995-06-21 CN claimed
CN-86102202-A The preparation method of the chrysomelid genus of bar larva agent for killing 1986-10-01 CN claimed
CN-107434770-B P-nitroaniline compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2021-04-13 CN disclosed
CN-103781910-B α amylase variants and polynucleotides encoding same 诺维信公司 2019-04-23 CN disclosed
CN-102126994-B Benzophenone hydrazone derivative and preparation method and application thereof SINOCHEM LANTIAN CO LTD 2014-07-09 CN disclosed
CN-101203132-B Insecticidal and bactericidal composition MITSUI CHEMICALS INC 2012-05-23 CN disclosed
CN-101152185-B Use of heterocyclic compounds as SCCE inhibitors AREXIS AB 2010-12-08 CN disclosed
CN-101842101-A Salicylanilide modified peptides for use as oral therapeutics UNIV CALIFORNINA 2010-09-22 CN disclosed
CN-101711162-A Processed product of fenugreek seed and method for producing the same HOUSE FOODS CORP 2010-05-19 CN disclosed
CN-1012786-B The chrysomelid genus of bar kills young agent LILLY CO ELI (US) 1991-06-12 CN disclosed
CN-1012786-B The chrysomelid genus of bar kills young agent LILLY CO ELI (US) 1991-06-12 CN disclosed
US-4980349-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTICOAGULANTS SANOFI (FR) 1990-12-25 US disclosed
CN-86102202-A The preparation method of the chrysomelid genus of bar larva agent for killing 1986-10-01 CN disclosed
CN-86102202-A The preparation method of the chrysomelid genus of bar larva agent for killing 1986-10-01 CN disclosed
US-4026697-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed
US-3988300-A FOR CONTROLLING BROADLEAF WEEDS AND GRASSES AMERICAN CYANAMID COMPANY (US) 1976-10-26 US disclosed