SCHEMBL26135553

SCHEMBL26135553

O=C(c1ccc(F)s1)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.46
▸ MAPT P10636 1/20 0.37
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ ADH5 P11766 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL11716133 0.72 ALDH1A1 (0.49) DAOMAPTALDH1A1
SCHEMBL30580646 0.71 LTA4H (0.47) CYP19A1
SCHEMBL9807751 0.71 CYP19A1 (0.46) MAPTFAAHMGLLADH5CYP19A1
SCHEMBL7527268 0.70 MAPT (0.41) MAPTFAAHMGLLCYP19A1ALDH1A1
SCHEMBL31388142 0.70 NAMPT (0.54) NAMPTTBXAS1
SCHEMBL31664989 0.69 ALDH1A1 (0.50) FAAHMGLLALDH1A1
SCHEMBL30366356 0.68 FAAH (0.44) MAPTFAAHMGLLCYP19A1TBXAS1
SCHEMBL1424751 0.67 CYP19A1 (0.47) MAPTFAAHMGLLCYP19A1TBXAS1
SCHEMBL13028408 0.67 ADH5 (0.51) MAPTADH5CYP19A1ALDH1A1
SCHEMBL354602 0.67 FFAR2 (0.42) —

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-2023183470-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-09-28 — — WO disclosed
WO-2023183470-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-09-28 — — WO disclosed
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