SCHEMBL24627779

SCHEMBL24627779

COc1cc2ccccc2cc1C(=O)N[C@@H](CCCNC(=N)CF)C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 8/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ PADI2 Q9Y2J8 6/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ BMP1 P13497 1/20 0.41
▸ PADI6 Q6TGC4 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40

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
SCHEMBL27174806 1.00 PADI4 (0.42) PADI4FOLH1DRD2DRD4PADI2
SCHEMBL30804858 1.00 PADI4 (0.42) PADI4FOLH1DRD2DRD4PADI2
SCHEMBL30665193 0.93 PADI4 (0.43) PADI4FOLH1PADI2MCHR1ATM
SCHEMBL24627778 0.93 PADI4 (0.43) PADI4FOLH1PADI2MCHR1ATM
SCHEMBL27174787 0.93 PADI4 (0.43) PADI4FOLH1PADI2MCHR1ATM
SCHEMBL27174804 0.89 PPARA (0.46) PADI4PADI2MMP2PADI6
SCHEMBL24627792 0.89 PPARA (0.46) PADI4PADI2MMP2PADI6
SCHEMBL24627883 0.87 MCHR1 (0.43) PADI4FOLH1PADI2MCHR1MMP2
SCHEMBL30804864 0.87 MCHR1 (0.43) PADI4FOLH1PADI2MCHR1MMP2
SCHEMBL27174782 0.87 MCHR1 (0.43) PADI4FOLH1PADI2MCHR1MMP2

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-2022148457-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-07-14 — — WO disclosed
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