SCHEMBL10687023

SCHEMBL10687023

C#CCOc1ccc(C=Cc2nc3cccc(C(=O)O)c3[nH]2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 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
SCHEMBL10687598 0.88 KMT2A (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL10692550 0.88 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
Bromide SCHEMBL10687727 0.88 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10687241 0.87 NPC1 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10685997 0.86 KMT2A (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10687010 0.85 MEN1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1
Phosphoric Acid SCHEMBL10684644 0.85 NPC1 (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10689917 0.85 NPC1 (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10684882 0.85 NPC1 (0.62) KMT2AMEN1NPC1RAB9AALDH1A1
Sulfuric Acid SCHEMBL10687281 0.85 KMT2A (0.49) 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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