SCHEMBL11253285

SCHEMBL11253285

CSc1ccc(OCC#N)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH2 P05091 1/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
SLC6A4 P31645 6/20 0.40
SLC2A1 P11166 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL18560985 0.80 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2HSD17B10GAAHPGD
SCHEMBL12300317 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HSD17B10HPGDL3MBTL1
SCHEMBL11261512 0.76 MCL1 (0.54) ALDH1A1SMN1; SMN2HSD17B10GAAHPGD
SCHEMBL17223747 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HSD17B10GAAHPGD
SCHEMBL24019095 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HSD17B10HPGDL3MBTL1
SCHEMBL18883716 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD17B10HPGDTSHR
SCHEMBL21719084 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD17B10GAAHPGD
SCHEMBL11253301 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HSD17B10GAAHPGD
SCHEMBL11541935 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD17B10GAAHPGD
SCHEMBL7875134 0.73 MAOB (0.42) ALDH1A1SMN1; SMN2HSD17B10GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343808-A Method of inhibiting sickling of sickle erythrocytes THE DOW CHEMICAL COMPANY (US) 1982-08-10 US disclosed