SCHEMBL10650486

SCHEMBL10650486

CCOC(=S)Cc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14334549 0.85 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL3601604 0.84 CYP1A2 (0.58) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL10510370 0.83 ALDH1A1 (0.51) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL10510363 0.83 ALDH1A1 (0.51) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL10652124 0.83 MEN1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL10653936 0.83 MAPT (0.49) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL3823448 0.80 ALDH1A1 (0.54) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL10651304 0.80 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL14099278 0.79 ALDH1A1 (0.55) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL2436193 0.79 CYP1A2 (0.63) MAPTLMNAALDH1A1SMN1; SMN2NPC1

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-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 US disclosed