SCHEMBL365704

SCHEMBL365704

COc1ccc2c(C(=O)NCCc3cccnc3)c3ccccc3n2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.51
KCNK3 O14649 1/20 0.49
KCNH2 Q12809 1/20 0.49
AURKA O14965 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PTAFR P25105 4/20 0.46
TBXAS1 P24557 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL365703 0.85 KMT2A (0.50) KMT2AGAAKCNK3KCNH2AURKA
SCHEMBL366362 0.81 SMN1; SMN2 (0.54) KMT2AKDM4EALDH1A1LMNAALOX12
SCHEMBL364303 0.79 KMT2A (0.46) KMT2AGAAKDM4EALDH1A1LMNA
SCHEMBL24273183 0.77 KCNK3 (0.56) KMT2AGAAKCNK3KCNH2KDM4E
SCHEMBL24273393 0.76 PTGER4 (0.64) KMT2AGAAKCNK3KCNH2PTAFR
SCHEMBL24273319 0.74 LMNA (0.52) KCNK3KCNH2PTAFRKDM4EALDH1A1
SCHEMBL365565 0.73 KMT2A (0.52) KMT2AGAAKDM4EALDH1A1LMNA
SCHEMBL24273219 0.72 PTGER4 (0.65) KMT2AGAAPTAFRALDH1A1MEN1
SCHEMBL365014 0.71 KDM4E (0.48) KMT2AGAAKDM4EALDH1A1HTT
SCHEMBL24273468 0.71 MAPT (0.52) KMT2AKDM4EALDH1A1LMNAALOX12

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed