SCHEMBL7841843

SCHEMBL7841843

CCOC(=O)CCCSc1nccc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5469169 0.84 ABCB1 (0.54) SMN1; SMN2KDM4EHPGDMAPTL3MBTL1
SCHEMBL15740656 0.77 KMT2A (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10783775 0.76 KDM4E (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10968197 0.74 NUDT1 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18989528 0.74 MAPT (0.46) SMN1; SMN2KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL10787265 0.74 KDM4E (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11245154 0.74 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10784208 0.73 KDR (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7834805 0.73 NUDT1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL418873 0.72 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EPOLB

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