SCHEMBL3790839

SCHEMBL3790839

O=C(NO)c1cc(NC(=O)c2cc[nH]n2)nc(-c2ccc(C#Cc3cccnc3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ HDAC6 Q9UBN7 5/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ XIAP P98170 2/20 0.34
▸ BIRC2 Q13490 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ NCOR1 O75376 1/20 0.34
▸ HAO1 Q9UJM8 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ KDM1A O60341 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
SCHEMBL3788973 0.90 CYP19A1 (0.39) HIF1AEPAS1CSF1RXIAPBIRC2
SCHEMBL13188500 0.88 HDAC6 (0.44) HDAC6HDAC1ALDH1A1HDAC3HDAC2
SCHEMBL3716108 0.86 LMNA (0.45) HIF1AEPAS1HDAC6HDAC1ALDH1A1
SCHEMBL3714333 0.86 HDAC1 (0.49) HIF1AEPAS1HDAC6HDAC1ALDH1A1
SCHEMBL3715066 0.85 HIF1A (0.37) HIF1AEPAS1HDAC6HDAC1FFAR1
SCHEMBL3714241 0.85 HDAC6 (0.41) HIF1AEPAS1HDAC6HDAC1CSF1R
SCHEMBL3709438 0.83 HIF1A (0.42) HIF1AEPAS1HDAC6HDAC1CSF1R
SCHEMBL13188263 0.82 HDAC6 (0.42) HIF1AEPAS1HDAC6HDAC1CSF1R
SCHEMBL3711250 0.81 TSHR (0.42) HIF1AALDH1A1LMNAGRM5
SCHEMBL13188374 0.81 NAMPT (0.42) HIF1AEPAS1HDAC6HDAC1CSF1R

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