SCHEMBL10945481

SCHEMBL10945481

O=C(NCCSC1=NCCN1)NCCSC1=NCCN1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 11/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 3/20 0.43
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL11700158 0.90 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL13873045 0.77 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL11584636 0.74
SCHEMBL2494830 0.72 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL6773584 0.71
SCHEMBL5892009 0.70 MAOA (0.43)
SCHEMBL24133884 0.70 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL29075804 0.68 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL10726585 0.68 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL24133860 0.68 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6

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-4524128-A HEAT-BLEACHABLE CYANINE DYES, COLORLESS BACKGROUNDS EASTMAN KODAK COMPANY (US) 1985-06-18 US disclosed