SCHEMBL7844387

SCHEMBL7844387

CCC=C1SC(=O)N(CCCCOc2cccn3ccnc23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 3/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
PTPN1 P18031 3/20 0.35
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SSTR4 P31391 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 2/20 0.33
MYC P01106 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL7844384 1.00 CISD1 (0.40) CISD1KMT2AMAPTSPHK2MEN1
Hydrochloric Acid SCHEMBL7842380 0.99 CISD1 (0.39) CISD1KMT2AMAPTSPHK2MEN1
Hydrochloric Acid SCHEMBL7842376 0.99 CISD1 (0.39) CISD1KMT2AMAPTSPHK2MEN1
SCHEMBL7834940 0.92 SPHK2 (0.44) CISD1KMT2AMAPTSPHK2MEN1
SCHEMBL7834939 0.92 SPHK2 (0.44) CISD1KMT2AMAPTSPHK2MEN1
SCHEMBL7847773 0.91 SPHK2 (0.46) CISD1KMT2AMAPTSPHK2MEN1
SCHEMBL7847770 0.91 SPHK2 (0.46) CISD1KMT2AMAPTSPHK2MEN1
Hydrochloric Acid SCHEMBL7846015 0.91 SPHK2 (0.43) CISD1KMT2AMAPTSPHK2MEN1
Hydrochloric Acid SCHEMBL7846013 0.91 SPHK2 (0.43) CISD1KMT2AMAPTSPHK2MEN1
SCHEMBL7844353 0.91 SPHK2 (0.45) CISD1KMT2AMAPTSPHK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed