SCHEMBL11025009

SCHEMBL11025009

CCCCCc1ccccc1-n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 6/20 0.52
▸ KCNMA1 Q12791 1/20 0.51
▸ CYP4Z1 Q86W10 5/20 0.48
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ ASAH1 Q13510 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ PLA2G4A P47712 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 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
SCHEMBL4639410 0.99 SLC9A1 (0.54) SLC9A1KCNMA1CYP4Z1NR1H2NR1H3
SCHEMBL30049983 0.96 KCNMA1 (0.53) SLC9A1KCNMA1CYP4Z1NR1H2NR1H3
SCHEMBL1938292 0.96 KCNMA1 (0.53) SLC9A1KCNMA1CYP4Z1NR1H2NR1H3
SCHEMBL18599169 0.90 KCNMA1 (0.55) SLC9A1KCNMA1CYP4Z1RAB9ATSHR
SCHEMBL16146902 0.88 KCNMA1 (0.52) SLC9A1KCNMA1CYP4Z1NR1H2NR1H3
SCHEMBL12204504 0.87 SLC9A1 (0.54) SLC9A1KCNMA1CYP4Z1ASAH1PLA2G4A
SCHEMBL5416738 0.84 KCNMA1 (0.54) SLC9A1KCNMA1CYP4Z1ASAH1
SCHEMBL5411646 0.81 KCNMA1 (0.47) SLC9A1KCNMA1CYP4Z1ASAH1PLA2G4A
SCHEMBL13093779 0.81 KCNMA1 (0.55) SLC9A1KCNMA1CYP4Z1RAB9ATSHR
SCHEMBL11343969 0.80 ADORA3 (0.39) SLC9A1KCNMA1NR1H2NR1H3TSHR

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
EP-0045692-B1 PHOTOGRAPHIC ELEMENT FOR TWO-SHEET DIFFUSION TRANSFER PHOTOGRAPHY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-04-10 — — EP disclosed
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