SCHEMBL6994787

SCHEMBL6994787

N#Cc1cc2c(s1)SCC(=O)N2CC(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.58
TSHR P16473 5/20 0.57
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45

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
Hydrochloric Acid SCHEMBL6991885 0.82 ALOX15 (0.56) ALOX15TSHRKMT2AALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6995285 0.78 ALOX15 (0.52) ALOX15TSHRKMT2AALDH1A1HSD17B10
SCHEMBL6992104 0.78 ALDH1A1 (0.45) TSHRKMT2AALDH1A1HSD17B10GAA
SCHEMBL8038844 0.71 ACHE (0.34) GAA
SCHEMBL6996979 0.70 NPSR1 (0.55) KMT2AALDH1A1HSD17B10KDM4EPOLB
SCHEMBL6996186 0.67 GSK3B (0.52) TSHRKMT2AALDH1A1POLBMEN1
SCHEMBL179086 0.66 SMN1; SMN2 (0.77) KMT2AALDH1A1HSD17B10KDM4EPOLB
SCHEMBL7440325 0.65 KMT2A (0.75) TSHRKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL29975649 0.65 ALDH1A1 (0.74) KMT2AALDH1A1KDM4EGAAPOLB
SCHEMBL28366072 0.65 ALDH1A1 (0.74) KMT2AALDH1A1KDM4EGAAPOLB

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