SCHEMBL11781024

SCHEMBL11781024

CC(=O)Oc1nc(-c2ccccc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 6/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALOX12 P18054 1/20 0.47
GFER P55789 1/20 0.47
ALOX5 P09917 1/20 0.47
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SCD O00767 1/20 0.46
ADORA3 P0DMS8 2/20 0.46
NFKB1 P19838 1/20 0.45

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
SCHEMBL9830681 0.81 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL27712566 0.79 MAPT (0.58) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL6017146 0.78 ALDH1A1 (0.55) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL27683334 0.77 KDM4E (0.55) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL13963798 0.75 MAPT (0.55) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3017219 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9390432 0.74 ALOX5 (0.54) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27538582 0.74 SREBF2 (0.44) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL1821255 0.74 KDM4E (0.72) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL27541634 0.74 NPC1 (0.52) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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-4033977-A ANTIINFLAMMATORY, ANTIDEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-05 US disclosed