SCHEMBL7090950

SCHEMBL7090950

CCCCN1CCSc2sc(C(=O)OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 4/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HPGD P15428 4/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 5/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 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
SCHEMBL6995377 0.87 MAPT (0.41) ALDH1A1CYP1A2CYP2C19KDM4EALOX15
SCHEMBL6989668 0.79 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL6990888 0.77 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4EHPGD
Trifluoroacetic Acid SCHEMBL6989334 0.77 NOS3 (0.31)
SCHEMBL6996076 0.68 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL6994010 0.68 MAPT (0.34) ALDH1A1KDM4EALOX15HSD17B10SMN1; SMN2
SCHEMBL9459052 0.66 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL3350901 0.65 XIAP (0.47) ALDH1A1KDM4EALOX15HSD17B10CASP1
SCHEMBL6992221 0.64 SMN1; SMN2 (0.39) ALDH1A1CYP1A2CYP2C19KDM4EALOX15
SCHEMBL3349263 0.63 REN (0.46) ALDH1A1KDM4EALOX15HSD17B10CASP1

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