SCHEMBL536173

SCHEMBL536173

CN(CCC(=O)O)Cc1cc(F)cc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
TMEM97 Q5BJF2 2/20 0.43
LTA4H P09960 2/20 0.41
NSD2 O96028 1/20 0.39
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
GPR35 Q9HC97 1/20 0.36
PARP1 P09874 1/20 0.36
ACKR3 P25106 1/20 0.36
POLB P06746 1/20 0.35
VNN1 O95497 1/20 0.35

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
SCHEMBL411215 0.83 NSD2 (0.34) SIGMAR1TMEM97NSD2
SCHEMBL535512 0.80 MEP1A (0.54) SIGMAR1TMEM97LTA4HKDM4AKDM4C
SCHEMBL2771923 0.76 FFAR1 (0.46) SIGMAR1TMEM97LTA4HNSD2ACKR3
SCHEMBL25941184 0.75 RXRA (0.48) VNN1
SCHEMBL409560 0.74 ABCB1 (0.38) NSD2POLB
SCHEMBL19224663 0.70 HSP90AB1 (0.49) VNN1
SCHEMBL1659915 0.69 VNN1 (0.45) VNN1
SCHEMBL23803552 0.68 RIPK1 (0.61) NSD2
SCHEMBL30262591 0.68 NR1D1 (0.43) NSD2
SCHEMBL24022849 0.68 NR1D1 (0.43) NSD2

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
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed