SCHEMBL4380157

SCHEMBL4380157

Cc1cc(C#N)c(Nc2ccccc2N)s1.Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.42
MAPK1 P28482 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
CUL4A Q13619 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
EGFR P00533 1/20 0.36
EPAS1 Q99814 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL29527221 0.93 HTT (0.46) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL725098 0.93 HTT (0.46) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL2541882 0.87 MAPT (0.41) MAPTALDH1A1HTTTDP1LMNA
SCHEMBL31690565 0.79 KAT2B (0.46) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL15485425 0.79 KAT2B (0.46) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL4837038 0.78 ATM (0.39) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL4842480 0.78 VCAM1 (0.50) MAPTHTTMAPK1TDP1L3MBTL1
SCHEMBL25101501 0.78 LMNA (0.47) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL4840845 0.78 HTT (0.44) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL4844309 0.78 VCAM1 (0.53) MAPTALDH1A1HTTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994013-A4 PROCESS FOR PRODUCING PURE AND STABLE FORM OF 2-METHYL-4-(4- METHYL- 1 -PIPERAZINYL)-10H-THIENO[2,3-b] [1,5]BENZODIAZEPINE JUBILANT ORGANOSYS LTD (IN) 2009-04-01 EP disclosed
EP-1994013-A1 PROCESS FOR PRODUCING PURE AND STABLE FORM OF 2-METHYL-4-(4- METHYL- 1 -PIPERAZINYL)-10H-THIENO[2,3-b] [1,5]BENZODIAZEPINE Jubilant Organosys Limited (IN) 2008-11-26 EP disclosed
EP-1778649-A4 A PROCESS FOR PRODUCING PURE FORM OF 2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO[2,3-b][1,5]BENZODIAZEPINE JUBILANT ORGANOSYS LTD (IN) 2008-09-10 EP disclosed
WO-2007105225-A1 PROCESS FOR PRODUCING PURE AND STABLE FORM OF 2-METHYL-4-(4- METHYL- 1 -PIPERAZINYL)-10H-THIENO[2,3-b] [ 1,5]BENZODIAZEPINE JUBILANT ORGANOSYS LIMITED (IN) 2007-09-20 WO disclosed
EP-1778649-A1 A PROCESS FOR PRODUCING PURE FORM OF 2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO[2,3-b][1,5]BENZODIAZEPINE Jubilant Organosys Limited (IN) 2007-05-02 EP disclosed
WO-2006006180-A1 A PROCESS FOR PRODUCING PURE FORM OF 2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO[2,3-b][1,5]BENZODIAZEPINE JUBILANT ORGANOSYS LIMITED (IN) 2006-01-19 WO disclosed