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)
SCHEMBL9700756 0.77 SNCA (0.37)
SCHEMBL9701671 0.77 BRD4 (0.42)
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