SCHEMBL10688477

SCHEMBL10688477

COc1ccc(C=Cc2nc3cccc(C(=O)O)c3[nH]2)cc1OC.O=S(=O)(O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ PSMD14 O00487 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42

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
Sulfuric Acid SCHEMBL10687281 0.89 KMT2A (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10686922 0.89 KMT2A (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10684866 0.88 KMT2A (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10689917 0.88 NPC1 (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10687598 0.87 KMT2A (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10688468 0.87 AKR1C2 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
Bromide SCHEMBL10687727 0.86 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL10692550 0.86 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
Phosphoric Acid SCHEMBL10788725 0.84 KMT2A (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
Nitric Acid SCHEMBL10690090 0.82 KMT2A (0.48) KMT2AMEN1NPC1RAB9AALDH1A1

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-4769384-A ANTIULCER AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1988-09-06 — — US disclosed
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