SCHEMBL29707750

SCHEMBL29707750

C[C@H](NC(=O)c1cc(-c2cccc(-c3ncc(C(N)=O)o3)c2)[nH]n1)[C@@H]1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ POLB P06746 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36

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
SCHEMBL23041604 0.89 KMT2A (0.40) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL23041632 0.89 KMT2A (0.40) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL28721826 0.89 KMT2A (0.40) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL23041634 0.89 KMT2A (0.40) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL23051909 0.89 KMT2A (0.40) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL23051994 0.88 PRKD1 (0.37) PRKD1
SCHEMBL23041699 0.82 PRKD1 (0.38) PRKD1
SCHEMBL23041519 0.82 PRKD1 (0.38) PRKD1
SCHEMBL23041527 0.82 PRKD1 (0.38) PRKD1
SCHEMBL29707801 0.82 PRKD1 (0.38) PRKD1

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
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
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