SCHEMBL7547678

SCHEMBL7547678

Cn1cncc1CSC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
KMT2A Q03164 2/20 0.39
GPR139 Q6DWJ6 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IDO1 P14902 1/20 0.36
ITK Q08881 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
INSR P06213 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK1 P28482 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL21139472 0.71 NAMPT (0.55) KMT2AMAPT
SCHEMBL7544500 0.71 MAPK1 (0.41) KMT2AGPR139FNTAFNTBALDH1A1
SCHEMBL14318478 0.70 RAB9A (0.48) KMT2AALDH1A1HTT
SCHEMBL1641518 0.69 HDAC3 (0.55) KMT2AGPR139ALDH1A1MAPTGSK3B
SCHEMBL1045351 0.68 MEN1 (0.46) HPGDSKMT2AIDO1ALDH1A1MAPT
Tibenzate SCHEMBL2110094 0.68 IDO1 (0.52) KMT2AGPR139IDO1GSK3BHDAC3
SCHEMBL1479171 0.68 NAPRT (0.53) KMT2AALDH1A1
SCHEMBL9372232 0.67 CHRM5 (0.41) HPGDSKMT2AMAPTMAPK1ALOX15
SCHEMBL25630920 0.67 CHRM5 (0.41) HPGDSKMT2AMAPTMAPK1ALOX15
SCHEMBL28304909 0.66 LMNA (0.56) KMT2AALDH1A1

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-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 US disclosed
EP-0667868-B1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
CN-1116425-A New cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-07 CN disclosed
EP-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 EP disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed