SCHEMBL9547313

SCHEMBL9547313

Cn1nnnc1SCC#N

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11465346 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10LMNASMN1; SMN2POLB
SCHEMBL7191810 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDLMNAPOLB
SCHEMBL10403880 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10LMNASMN1; SMN2POLB
SCHEMBL10971800 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL11031214 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10LMNASMN1; SMN2POLB
SCHEMBL10974031 0.77 ALDH1A1 (0.75) ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL10969206 0.74 ALDH1A1 (0.69) ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL8316978 0.74
SCHEMBL8445215 0.74
SCHEMBL10970753 0.74 ALDH1A1 (0.69) ALDH1A1HSD17B10LMNASMN1; SMN2

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
CN-1084173-A 1-azabicyclo [3,2,0] hept-2-ene\"-2-carboxylic acid derivative and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-23 CN disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed