SCHEMBL9754463

SCHEMBL9754463

O=c1[nH]c(-c2ccc3ccc4ccccc4c3c2)ccc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 18/20 0.39
▸ PIM1 P11309 1/20 0.38

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
SCHEMBL9251638 0.89 PTGER3 (0.46) PTGER3PIM1
SCHEMBL9754365 0.84 ALDH1A1 (0.36) —
SCHEMBL9535284 0.83 KDM4E (0.41) PIM1
SCHEMBL9525656 0.78 NOTUM (0.40) —
SCHEMBL9701671 0.77 BRD4 (0.42) —
SCHEMBL9700756 0.77 SNCA (0.37) —
SCHEMBL9754436 0.76 ALDH1A1 (0.33) —
SCHEMBL9754374 0.76 NPC1 (0.40) —
SCHEMBL9700679 0.75 MAOA (0.37) —
SCHEMBL9525928 0.75 CYP11B1 (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
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 — — WO claimed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 — — WO disclosed
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