SCHEMBL365263

SCHEMBL365263

NC(=O)c1c2c(O)cc(OC(=O)N3CCOCC3)cc2n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 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
SCHEMBL367408 0.91 EPHX1 (0.51) EPHX1HSD17B10KMT2ASMN1; SMN2KDM4E
SCHEMBL367236 0.88 TSHR (0.47) EPHX1HSD17B10KMT2ASMN1; SMN2KDM4E
SCHEMBL365100 0.83 EPHX1 (0.52) EPHX1HSD17B10KMT2ASMN1; SMN2KDM4E
SCHEMBL366113 0.79 EPHX1 (0.49) EPHX1HSD17B10KMT2ASMN1; SMN2KDM4E
SCHEMBL365255 0.78 RAB9A (0.37) KMT2AKDM4ERAB9AMEN1MAOB
SCHEMBL365406 0.77 STS (0.39) KMT2AKDM4EMEN1
SCHEMBL365667 0.76 EPHX1 (0.56) EPHX1HSD17B10KMT2ASMN1; SMN2KDM4E
SCHEMBL365264 0.76 EPHX1 (0.45) EPHX1HSD17B10KMT2ASMN1; SMN2KDM4E
SCHEMBL367244 0.75 KDM4E (0.33) KMT2AKDM4EMEN1
SCHEMBL365015 0.73 ALDH1A1 (0.58) EPHX1HSD17B10KMT2ASMN1; SMN2KDM4E

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed