SCHEMBL23051994

SCHEMBL23051994

CC(NC(=O)c1cc(-c2cccc(-c3ncc(C(N)=O)o3)c2)[nH]n1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 2/20 0.37
▸ MME P08473 11/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ ALPP P05187 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL29707865 0.94 PRKD1 (0.38) PRKD1MMESMYD3ALPPMAPT
SCHEMBL29707801 0.94 PRKD1 (0.38) PRKD1MMESMYD3ALPPMAPT
SCHEMBL23041527 0.94 PRKD1 (0.38) PRKD1MMESMYD3ALPPMAPT
SCHEMBL23041699 0.94 PRKD1 (0.38) PRKD1MMESMYD3ALPPMAPT
SCHEMBL23041519 0.94 PRKD1 (0.38) PRKD1MMESMYD3ALPPMAPT
SCHEMBL28724388 0.92 PRKD1 (0.37) PRKD1MMESMYD3ALPPMAPT
SCHEMBL29452642 0.92 PRKD1 (0.37) PRKD1MMESMYD3ALPPMAPT
SCHEMBL28724377 0.92 PRKD1 (0.37) PRKD1MMESMYD3ALPPMAPT
SCHEMBL29707750 0.88 KMT2A (0.42) PRKD1
SCHEMBL23041520 0.88 PRKD1 (0.38) PRKD1MMESMYD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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