SCHEMBL3710281

SCHEMBL3710281

CCCCOC(=O)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(NCCN2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ SCN9A Q15858 1/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ WNT1 P04628 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL13187836 0.85 WNT1 (0.42) SCN9AABL1BCRWNT1DYRK1A
SCHEMBL3713958 0.85 L3MBTL1 (0.42) HPGDKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3709987 0.84 POLB (0.45) GAAHPGDKDM4EALDH1A1POLB
SCHEMBL3713408 0.83 L3MBTL1 (0.39) DYRK1AHPGDALDH1A1POLBMAPT
SCHEMBL3713386 0.82 L3MBTL1 (0.46) HPGDALDH1A1POLBCYP1A2CYP3A4
SCHEMBL3714672 0.82 KMT2A (0.44) GAAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3715077 0.79 AURKA (0.45) GAASCN9AWNT1DYRK1AHPGD
SCHEMBL3709357 0.79 ACP1 (0.53) KDM4EPTGS2SMN1; SMN2ACP1
SCHEMBL3714237 0.77 KDM4E (0.43) GAAHPGDKDM4EALDH1A1CYP1A2
SCHEMBL3714572 0.77 P2RY12 (0.46) GAAWNT1DYRK1AHPGDKDM4E

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
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