SCHEMBL10687513

SCHEMBL10687513

COc1ccc(OC)c(C=Cc2nc3cccc(C(=O)O)c3[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ ABL1 P00519 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ CSK P41240 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ PTK6 Q13882 1/20 0.47
▸ JUN P05412 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ TUBB4A P04350 2/20 0.46
▸ TUBB P07437 2/20 0.46
▸ TUBA3C P0DPH7 2/20 0.46
▸ TUBA1B P68363 2/20 0.46

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
SCHEMBL10689525 0.93 CYP1A1 (0.48) MEN1KMT2AABL1LCKLYN
SCHEMBL10688458 0.87 ABL1 (0.62) MEN1KMT2AABL1LCKLYN
SCHEMBL10687236 0.85 ABL1 (0.46) MEN1KMT2AABL1LCKLYN
SCHEMBL10683705 0.84 TUBB4A (0.51) JUNNFKB1TUBB4ATUBBTUBA3C
SCHEMBL10689117 0.83 RAB9A (0.56) MEN1KMT2ANFKB1TUBB4ATUBB
SCHEMBL10687494 0.83 DHODH (0.50) MEN1KMT2ATLR9JUNNFKB1
SCHEMBL10690932 0.83 ABL1 (0.51) MEN1KMT2AABL1LCKLYN
SCHEMBL10687598 0.83 KMT2A (0.53) MEN1KMT2ANFKB1CYP1A1CYP1A2
Bromide SCHEMBL10687727 0.82 KMT2A (0.52) MEN1KMT2ANFKB1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL10692550 0.82 KMT2A (0.52) MEN1KMT2ANFKB1CYP1A1CYP1A2

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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