SCHEMBL6992104

SCHEMBL6992104

N#Cc1cc2c(s1)SCC(=O)N2CCc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
TSHR P16473 4/20 0.45
GAA P10253 3/20 0.41
CMA1 P23946 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP4 P27487 2/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6996131 0.82 ALDH1A1 (0.45) ALDH1A1TSHRGAACMA1KMT2A
SCHEMBL6989105 0.82 GSK3A (0.52) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL6992010 0.81 ALDH1A1 (0.42) ALDH1A1TSHRGAACMA1KMT2A
SCHEMBL6987406 0.80 PAX8 (0.60) ALDH1A1KMT2ASMN1; SMN2HTTPOLB
Hydrochloric Acid SCHEMBL6994808 0.79 ALDH1A1 (0.41) ALDH1A1TSHRGAACMA1KMT2A
SCHEMBL6992255 0.79 ALDH1A1 (0.47) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL6994787 0.78 ALOX15 (0.58) ALDH1A1TSHRGAAKMT2AMEN1
Hydrochloric Acid SCHEMBL6998355 0.76 ALDH1A1 (0.42) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL6994508 0.75 MAPT (0.32) KMT2AMEN1HSD17B10
SCHEMBL6994180 0.73 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1PKMHSD17B10

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