SCHEMBL9294591

SCHEMBL9294591

CCCCCN1CCc2sc(C(=O)O)c(N)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA1 P30542 2/20 0.36
RAD52 P43351 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCB1 P08183 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
HTR1A P08908 1/20 0.34
GRM5 P41594 1/20 0.34
KCNH2 Q12809 1/20 0.33
GLA P06280 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 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
SCHEMBL9294544 0.71 PRMT5 (0.48) ALDH1A1ABCB1
SCHEMBL9426194 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10800854 0.66 ADRA2A (0.48) ALDH1A1MEN1KMT2AHTR1AGRM5
SCHEMBL11180672 0.66 ALDH1A1 (0.49) ALDH1A1ABCB1KCNH2
SCHEMBL15387455 0.65 PKM (0.49) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL11130852 0.65 HTR1A (0.49) ALDH1A1MEN1KMT2AHTR1AGRM5
Hydrochloric Acid SCHEMBL10946429 0.65 ADRA2A (0.48) ALDH1A1MEN1KMT2AHTR1AGRM5
SCHEMBL10856539 0.65 ADORA1 (0.68) ALDH1A1KDM4EMAPTHPGDGAA
Hydrochloric Acid SCHEMBL10949363 0.64 HTR1A (0.48) ALDH1A1MEN1KMT2AHTR1AGRM5
SCHEMBL11184731 0.64 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHPGDGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6056843-A None JP disclosed
US-5364941-A 5-acyl-4,5,6,7-tetrahydrothieno (3,2-C)pyridine-2-carboxylic acid derivative and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1994-11-15 US disclosed
JP-H0656843-A 5-ACYL-4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDINE-2-CARBOXYLIC ACID DERIVATIVE AND ITS PRODUCTION FUJI PHOTO FILM CO LTD 1994-03-01 JP disclosed
EP-0573954-A1 5-Acyl-4,5,6,7-tetrahydrothieno 3,2-c pyridine-2-carboxylic acid derivative and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-12-15 EP disclosed