Chlorobenzene

Chlorobenzene

SCHEMBL27484099

CC(C)(C)OC(N)=O.Clc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PPARA Q07869 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ PPARG P37231 2/20 0.41
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GRM6 O15303 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
Benzene SCHEMBL27546891 0.83 KMT2A (0.39) KMT2AMAPTTSHRMEN1CYP2C19
4-Chloroaniline SCHEMBL27831633 0.83 MAOA (0.44) KMT2AMAPTPPARAMEN1CYP3A4
Aniline SCHEMBL27495165 0.82 TSHR (0.44) KMT2AMAPTTSHRMEN1CYP3A4
Toluene SCHEMBL26697033 0.82 TSHR (0.44) KMT2AMAPTTSHRMEN1CYP3A4
SCHEMBL27890515 0.81 MEN1 (0.42) KMT2AMAPTTSHRPPARAMEN1
Aniline SCHEMBL28104783 0.81 KMT2A (0.42) KMT2AMAPTTSHRMEN1CYP3A4
Benzoic Acid SCHEMBL999801 0.81 TSHR (0.54) KMT2AMAPTTSHRCYP3A4CYP2C19
Fluorobenzene SCHEMBL27926129 0.81 KCNN4 (0.46) KMT2AMAPTTSHRMEN1ALDH1A1
Benzamide SCHEMBL5320681 0.81 PARP1 (0.61) KMT2AMAPTTSHRCYP3A4CYP2C19
SCHEMBL28807393 0.80 MEN1 (0.49) KMT2AMAPTTSHRPPARAMEN1

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
CN-101965351-A Benzofuran pyrimidinones EXELIXIS INC 2011-02-02 — — CN disclosed
CN-1224623-C 1-phenylsulfonyl-1, 3-dihydro-2H-indol-2-one derivatives, their preparation and their therapeutic use SANOFI ANWANTE (FR) 2005-10-26 — — CN disclosed
CN-1193025-C 1, 3-dihydro-2H-indol-2-one derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2005-03-16 — — CN disclosed
CN-1533387-A 1-phenysulfonyl-1,3-dihydro-2H-indole-2-one derivatives, their preparation and their therapeutic use ����ɳŵ��-����������˾ 2004-09-29 — — CN disclosed
CN-1404479-A 1, 3-dihydro-2H-indol-2-one derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2003-03-19 — — CN disclosed
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