SCHEMBL7374273

SCHEMBL7374273

O=C(O)c1n[nH]c2cccc(Cl)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ MAP2K4 P45985 4/20 0.51
▸ TTK P33981 3/20 0.49
▸ PRKAB2 O43741 4/20 0.47
▸ PRKAG1 P54619 4/20 0.47
▸ PRKAA2 P54646 4/20 0.47
▸ PRKAA1 Q13131 4/20 0.47
▸ PRKAG3 Q9UGI9 4/20 0.47
▸ PRKAG2 Q9UGJ0 4/20 0.47
▸ PRKAB1 Q9Y478 4/20 0.47
▸ PBRM1 Q86U86 1/20 0.46
▸ EPHB3 P54753 1/20 0.46
▸ ALPL P05186 1/20 0.43
▸ GPR17 Q13304 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42

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
SCHEMBL8638951 0.92 GAA (0.50) GAAMAP2K4TTKPRKAB2PRKAG1
SCHEMBL4791540 0.81 KDM4E (0.59) GAAMAP2K4TTKEPHB3
SCHEMBL1967918 0.81 GPR17 (0.43) MAP2K4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28497966 0.81 PARP1 (0.45) MAP2K4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28503102 0.79 PARP1 (0.44) MAP2K4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL570533 0.79 HAO1 (0.50) MAP2K4HCAR2
SCHEMBL16240884 0.79 CTNNB1 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL9444673 0.78 HAO1 (0.49) MAP2K4HCAR2
SCHEMBL2071431 0.77 KDM4E (0.55) GAAMAP2K4TTKPBRM1EPHB3
SCHEMBL29953412 0.77 CDK2 (0.38) MAP2K4TTKPRKAB2PRKAG1PRKAA2

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
US-9737510-B2 Indazole compounds and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-08-22 — — US claimed
CN-111995577-A Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof 上海代为化学科技有限公司 2020-11-27 — — CN disclosed
US-5166341-A Selective antagonist of serotonin 3(5-HT3) receptor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 — — US disclosed
US-5017573-A Serotonin receptor antagonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 — — US disclosed
EP-0358903-A2 Indazole-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-03-21 — — EP disclosed
Send feedback