SCHEMBL6996979

SCHEMBL6996979

CCOC(=O)CN1C(=O)CSc2sc(C#N)cc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
PIN1 Q13526 1/20 0.38
PIN4 Q9Y237 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 4/20 0.37
ELANE P08246 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6990864 0.87 NPSR1 (0.41) NPSR1LMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6988451 0.79 NPSR1 (0.54) NPSR1LMNAHTTUSP2GSK3A
Hydrochloric Acid SCHEMBL6994528 0.78 NPSR1 (0.53) NPSR1LMNAHTTUSP2GSK3A
SCHEMBL6994180 0.77 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL6994508 0.77 MAPT (0.32) KDM4EKMT2AMEN1MAPTHSD17B10
SCHEMBL6998117 0.75 DDR1 (0.34) LMNAHTTALDH1A1KMT2AMAPT
SCHEMBL5798388 0.72 NPSR1 (0.62) NPSR1GSK3AGSK3BALDH1A1KDM4E
SCHEMBL10651710 0.71 NPSR1 (0.66) NPSR1LMNAHTTUSP2GSK3A
SCHEMBL6996186 0.71 GSK3B (0.52) LMNAHTTGSK3AGSK3BALDH1A1
SCHEMBL7562796 0.71 NPSR1 (1.00) NPSR1LMNAGSK3AGSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed