SCHEMBL6997598

SCHEMBL6997598

CCCCNC(=O)/C=C1/CCCc2sccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP19A1 P11511 2/20 0.37
TBXAS1 P24557 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.35
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SHMT2 P34897 1/20 0.34
ZDHHC2 Q9UIJ5 2/20 0.33
APP P05067 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
SCHEMBL6997601 1.00 HTT (0.44) HTTMAPTHPGDKDM4ECYP19A1
SCHEMBL6990213 0.79 DAO (0.41) HTTMAPTHPGDKDM4EALDH1A1
SCHEMBL6990211 0.79 DAO (0.41) HTTMAPTHPGDKDM4EALDH1A1
SCHEMBL6991832 0.77 ALDH1A1 (0.36) HTTMAPTHPGDKDM4EALDH1A1
SCHEMBL6991835 0.77 ALDH1A1 (0.36) HTTMAPTHPGDKDM4EALDH1A1
SCHEMBL6991846 0.76 CYP19A1 (0.40) HTTMAPTHPGDKDM4ECYP19A1
SCHEMBL6991841 0.76 CYP19A1 (0.40) HTTMAPTHPGDKDM4ECYP19A1
SCHEMBL6996478 0.76 ALDH1A1 (0.33) HTTMAPTHPGDKDM4EALDH1A1
SCHEMBL6996475 0.76 ALDH1A1 (0.33) HTTMAPTHPGDKDM4EALDH1A1
SCHEMBL4097016 0.73 CYP19A1 (0.43) HTTMAPTHPGDCYP19A1TBXAS1

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