SCHEMBL9508825

SCHEMBL9508825

O=Cc1cc(-c2ccccc2)oc1S

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.69
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
RAB9A P51151 3/20 0.40
AR P10275 3/20 0.40
NPC1 O15118 2/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1B1 Q16678 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
CA12 O43570 1/20 0.40
TNKS O95271 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL11762040 0.79 KDM4E (0.50) DDAH1MEN1KMT2AALDH1A1TDP1
SCHEMBL3104199 0.78 DDAH1 (0.46) DDAH1MEN1KMT2AALDH1A1TDP1
SCHEMBL6212458 0.74 DDAH1 (0.42) DDAH1MEN1KMT2AALDH1A1TDP1
SCHEMBL3104730 0.74 ALDH1A1 (0.43) DDAH1MEN1KMT2AALDH1A1TDP1
SCHEMBL3095909 0.73 DDAH1 (0.41) DDAH1MEN1KMT2AALDH1A1TDP1
SCHEMBL28125342 0.71 KDM4E (0.46) DDAH1MEN1KMT2AALDH1A1MAPT
SCHEMBL28125408 0.71 TNKS (0.44) DDAH1MEN1KMT2AALDH1A1MAPT
SCHEMBL28125341 0.71 MAOB (0.44) DDAH1MEN1KMT2AALDH1A1MAPT
SCHEMBL28125334 0.71 KDM4E (0.46) DDAH1MEN1KMT2AALDH1A1MAPT
SCHEMBL28124986 0.71 MAOB (0.44) DDAH1MEN1KMT2AALDH1A1MAPT

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
EP-0365256-B1 PROCESS FOR PREPARING 5-SUBSTITUTED-3-FURALDEHYDES ALLERGAN, INC (US) 1993-09-15 EP disclosed
US-4935530-A Process for preparing 5-substituted-3-furaldehydes ALLERGAN, INC. (US) 1990-06-19 US disclosed
EP-0365256-A1 Process for preparing 5-substituted-3-furaldehydes ALLERGAN, INC (US) 1990-04-25 EP disclosed