SCHEMBL6991835

SCHEMBL6991835

CCCCNC(=O)C=C1CCCc2sc(C(=O)OC)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2A P28223 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
SCHEMBL6991832 1.00 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6990211 0.91 DAO (0.41) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6990213 0.91 DAO (0.41) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6996475 0.86 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6996478 0.86 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6994987 0.79 KDM4E (0.42) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6994989 0.79 KDM4E (0.42) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6997601 0.77 HTT (0.44) ALDH1A1CYP1A2CYP2C19MAPTTSHR
SCHEMBL6997598 0.77 HTT (0.44) ALDH1A1CYP1A2CYP2C19MAPTTSHR
SCHEMBL6994524 0.68 DAO (0.48) ALDH1A1CYP1A2CYP2C19MAPTMAPK1

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