SCHEMBL9646843

SCHEMBL9646843

O=C(O)c1c(O)ccc(Cc2c[nH]cn2)c1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ME2 P23368 1/20 0.32
▸ ME1 P48163 1/20 0.32
▸ ME3 Q16798 1/20 0.32
▸ P2RX3 P56373 1/20 0.30

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
SCHEMBL9647120 0.87 PRKCI (0.34) PRKCI
Hydrochloric Acid SCHEMBL10402300 0.86 PRKCI (0.33) PRKCI
SCHEMBL9646806 0.86 CA12 (0.32) PRKCICA12CA1CA2CA7
SCHEMBL9647525 0.86 P2RX3 (0.34) ME2ME1ME3P2RX3
SCHEMBL10401616 0.84 CA12 (0.41) PRKCICA12CA1CA2CA7
SCHEMBL9518487 0.77 HMGB1 (0.48) —
SCHEMBL9648217 0.77 PKMYT1 (0.34) PRKCI
SCHEMBL9646948 0.77 PKMYT1 (0.32) —
Hydrochloric Acid SCHEMBL10401999 0.76 HMGB1 (0.47) —
Hydrochloric Acid SCHEMBL10401606 0.76 PKMYT1 (0.33) —

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
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 — — EP disclosed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 — — EP disclosed
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