SCHEMBL11396052

SCHEMBL11396052

O=C(O)c1ccc(NCc2ccc(F)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 7/20 1.00
▸ PPARA Q07869 5/20 0.52
▸ STING1 Q86WV6 1/20 0.52
▸ CXCR1 P25024 2/20 0.50
▸ CXCR2 P25025 2/20 0.50
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ASPH Q12797 1/20 0.46
▸ RIOX2 Q8IUF8 1/20 0.46
▸ KDM8 Q8N371 1/20 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
Hydrochloric Acid SCHEMBL11393042 0.98 P4HTM (0.97) P4HTMPPARASTING1CXCR1CXCR2
Acetic Acid SCHEMBL11394010 0.96 P4HTM (0.92) P4HTMPPARASTING1CXCR1CXCR2
SCHEMBL11398234 0.88 P4HTM (0.78) P4HTMALDH1A1KDM4EASPHRIOX2
SCHEMBL11387402 0.87 P4HTM (0.76) P4HTMPPARASTING1CXCR1CXCR2
SCHEMBL11392796 0.85 P4HTM (0.74) P4HTMPPARASTING1CXCR1CXCR2
SCHEMBL11387629 0.84 P4HTM (0.72) P4HTMPPARACXCR1CXCR2ALDH1A1
SCHEMBL11394043 0.81 P4HTM (0.67) P4HTMPPARASTING1CXCR1CXCR2
SCHEMBL754198 0.78 P4HTM (0.63) P4HTMLMNAALDH1A1KDM4E
SCHEMBL1663181 0.78 PPARA (0.64) P4HTMPPARASTING1ALDH1A1KDM4E
SCHEMBL26049197 0.77 P4HTM (0.62) P4HTMALDH1A1KDM4E

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
US-4273779-A Treating hypertension with substituted-5-amino-2-pyridinecarboxylic acids CIBA-GEIGY CORPORATION (US) 1981-06-16 — — US claimed
US-4273779-A Treating hypertension with substituted-5-amino-2-pyridinecarboxylic acids CIBA-GEIGY CORPORATION (US) 1981-06-16 — — US disclosed
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