SCHEMBL7369772

SCHEMBL7369772

CC(C)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.56
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.51
APP P05067 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
KCNMA1 Q12791 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL17846944 0.87 L3MBTL1 (0.54) HCAR3L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL2976885 0.87 MAPT (0.58) HCAR3L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL7349466 0.82 L3MBTL1 (0.49) HCAR3L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL10249208 0.81 HCAR3 (0.63) HCAR3L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL10089736 0.81 CRHBP (0.68) HCAR3L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL11201036 0.81 ALDH1A1 (0.67) HCAR3L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL11055359 0.81 ALDH1A1 (0.67) HCAR3L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL11061364 0.81 ALDH1A1 (0.54) HCAR3L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL1982270 0.81 L3MBTL1 (0.61) HCAR3L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL2707255 0.80 HCAR3 (0.61) HCAR3ALDH1A1MAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
EP-0641784-B1 BENZIMIDAZOLE DERIVATIVE, PRODUCTION THEREOF, ANTIEMETIC CONTAINING SAME AS ACTIVE INGREDIENT, AND INTERMEDIATE FOR PRODUCING SAME KANEBO LTD (JP) 1997-11-19 EP disclosed
US-5534521-A SEROTONIN ANTAGONISTS G. D. SEARLE & CO. (US) 1996-07-09 US disclosed
US-5521193-A SEROTONIN AGONISTS AND ANTAGONISTS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5407936-A For vomiting due to chemotherapy with cisplatin KANEBO LTD. (JP) 1995-04-18 US disclosed
EP-0641784-A1 BENZIMIDAZOLE DERIVATIVE, PRODUCTION THEREOF, ANTIEMETIC CONTAINING SAME AS ACTIVE INGREDIENT, AND INTERMEDIATE FOR PRODUCING SAME KANEBO, LTD. (JP) 1995-03-08 EP disclosed
US-5300512-A Antiserotonine agents; antagonist or agonist G. D. SEARLE & CO. (US) 1994-04-05 US disclosed
US-5280028-A Containing ketone structure in position2 G. D. SEARLE & CO. (US) 1994-01-18 US disclosed
WO-1994000449-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed
WO-1994000454-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed