SCHEMBL11383000

SCHEMBL11383000

CC(C)Oc1ccccc1-c1nc2ccc(C(=O)O)cc2c(=S)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ RAB9A P51151 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GUSB P08236 2/20 0.38
▸ MAP2 P11137 1/20 0.38
▸ MLKL Q8NB16 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
SCHEMBL11375677 0.88 PDE5A (0.54) PDE5AALOX15HSD17B10RAB9AL3MBTL1
SCHEMBL11374823 0.88 L3MBTL1 (0.49) PDE5AL3MBTL1CHEK2MEN1KMT2A
SCHEMBL11376529 0.82 PDE5A (0.48) PDE5ARAB9AL3MBTL1NPC1TP53
SCHEMBL11380795 0.80 PDE5A (0.55) PDE5AALOX15HSD17B10ABL1GUSB
SCHEMBL11377859 0.78 GUSB (0.51) PDE5AHSD17B10RAB9AL3MBTL1NPC1
SCHEMBL11374270 0.76 ALDH1A1 (0.55) PDE5AALOX15HSD17B10RAB9AL3MBTL1
SCHEMBL11559725 0.76 TP53 (0.44) PDE5AHSD17B10TP53POLBMAPT
SCHEMBL11391684 0.75 PDE5A (0.41) PDE5AHSD17B10RAB9AL3MBTL1NPC1
SCHEMBL11390124 0.75 PDE5A (0.41) PDE5AHSD17B10RAB9AL3MBTL1NPC1
SCHEMBL11382413 0.75 GUSB (0.59) POLBMEN1KMT2AGUSBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US claimed
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
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