SCHEMBL6989672

SCHEMBL6989672

CCC/C=C1\CCCCc2sc(C(N)=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
PNMT P11086 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
NOTUM Q6P988 2/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.33
FLT3 P36888 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 2/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL6989675 1.00 ALDH1A1 (0.36) ALDH1A1MEN1GAAKMT2APNMT
SCHEMBL6997398 0.88 ALDH1A1 (0.48) ALDH1A1MEN1GAAKMT2ACYP1A2
SCHEMBL6997401 0.88 ALDH1A1 (0.48) ALDH1A1MEN1GAAKMT2ACYP1A2
SCHEMBL6994520 0.85 DAO (0.48) ALDH1A1MEN1GAAKMT2ACYP1A2
SCHEMBL6994524 0.85 DAO (0.48) ALDH1A1MEN1GAAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL7972762 0.83 C1S (0.33) POLBTDP1
Hydrochloric Acid SCHEMBL7972765 0.83 C1S (0.33) POLBTDP1
Trifluoroacetic Acid SCHEMBL6993161 0.83 C1S (0.31) ALDH1A1MEN1GAAKMT2ACYP1A2
Trifluoroacetic Acid SCHEMBL6993165 0.83 C1S (0.31) ALDH1A1MEN1GAAKMT2ACYP1A2
SCHEMBL6994989 0.82 KDM4E (0.42) ALDH1A1MEN1GAAKMT2ACYP1A2

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