SCHEMBL3715041

SCHEMBL3715041

COC(=O)c1ccnc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM1A O60341 2/20 0.49
MAPKAPK2 P49137 1/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL13188330 0.93 HDAC1 (0.56) HDAC1MAPK1SMN1; SMN2KDM1AMAPKAPK2
SCHEMBL3714455 0.92 MRGPRX4 (0.47) HDAC1MAPK1SMN1; SMN2KDM1AMAPKAPK2
SCHEMBL3713872 0.91 CHKA (0.50) HDAC1SMN1; SMN2KDM4EKDM6BKDM5C
SCHEMBL3713492 0.90 HDAC1 (0.52) HDAC1KDM1AKDM4EKDM6BKDM5C
SCHEMBL3710215 0.90 CHKA (0.49) HDAC1SMN1; SMN2KDM4EKDM6BKDM5C
SCHEMBL3714518 0.89 MRGPRX4 (0.55) HDAC1MAPK1SMN1; SMN2KDM1A
SCHEMBL3713942 0.89 HRH3 (0.43) HDAC1MAPK1SMN1; SMN2KDM1AMAPKAPK2
SCHEMBL3715159 0.87 HDAC1 (0.65) HDAC1KDM1AMAPKAPK2
SCHEMBL3717935 0.85 MAPK1 (0.50) MAPK1SMN1; SMN2KMT2A
SCHEMBL3711313 0.85 MAPK1 (0.49) MAPK1SMN1; SMN2JAK2KMT2A

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