SCHEMBL5330672

SCHEMBL5330672

O=S(=O)(NCc1ccccn1)c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
PRMT1 Q99873 1/20 0.52
ALDH1A1 P00352 1/20 0.51
STK33 Q9BYT3 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5711769 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1GAA
SCHEMBL7973147 0.80 L3MBTL1 (0.47) L3MBTL1PRMT1ALDH1A1MEN1KMT2A
SCHEMBL4347942 0.79 ALDH1A1 (0.56) L3MBTL1ALDH1A1STK33MEN1KMT2A
SCHEMBL10464989 0.79 L3MBTL1 (0.57) L3MBTL1ALDH1A1GAACYP1A2CYP2D6
SCHEMBL10467765 0.76 ALDH1A1 (0.56) L3MBTL1ALDH1A1MEN1KMT2ATSHR
SCHEMBL15016455 0.76 NOS3 (0.40) L3MBTL1ALDH1A1CCNE1CDK2CDK5
SCHEMBL10467095 0.75 L3MBTL1 (0.53) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL10466041 0.74 CNR1 (0.62) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL10466305 0.74 BCHE (0.56) L3MBTL1ALDH1A1GAA
SCHEMBL15016454 0.74 L3MBTL1 (0.48) L3MBTL1ALDH1A1STK33KMT2AGAA

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-2013130407-A1 SMALL MOLECULE INHIBITORS OF P-TYPE ATPASES ELC MANAGEMENT LLC (US) 2013-09-06 WO claimed
EP-0246126-A1 Benzimidazoles and imidazopyridine sulfone amides, process for their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-11-19 EP claimed
WO-2007088559-A1 PROCESS FOR PRODUCING SUBSTITUTED SULPHOXIDES JUBILANT ORGANOSYS LIMITED (IN) 2007-08-09 WO disclosed
WO-2007086077-A2 A NOVEL ONE POT PROCESS FOR PREPARATION OF PANTOPRAZOLE SODIUM SESQUIHYDRATE UNICHEM LABORATORIES LIMITED (IN) 2007-08-02 WO disclosed
WO-2007066202-A1 PROCESS FOR THE PREPARATION OF 2-(2-PYRIDYLMETHYL)-SULFINYL-1H-BENZIMIDAZOLES INOGENT LABORATORIES PRIVATE LIMITED (IN) 2007-06-14 WO disclosed
EP-1476441-A1 A METHOD OF ELIMINATING SULFONE ANALOG IN THE SYNTHESIS OF PYRIDINE-BENZIMIDAZOLE SULFOXIDES Ulkar Kimya Sanayii Ve Ticaret A.S. (TR) 2004-11-17 EP disclosed
WO-2003062223-A1 A METHOD OF ELIMINATING SULFONE ANALOG IN THE SYNTHESIS OF PYRIDINE-BENZIMIDAZOLE SULFOXIDES ULKAR KIMYA SANAYII VE TICARET ANONIM SIRKETI (TR) 2003-07-31 WO disclosed
US-4943570-A GASTROINTESTINAL DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1990-07-24 US disclosed
US-4933338-A ANTIULCER AGENTS, ANTISECRETORY AGENTS, TREATMENT OF GASTROINTESTINAL DISORDERS; CHEMICAL INTERMEDIATES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1990-06-12 US disclosed
EP-0246126-A1 Benzimidazoles and imidazopyridine sulfone amides, process for their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-11-19 EP disclosed