SCHEMBL876096

SCHEMBL876096

O=C(O)Oc1cccnc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ELANE P08246 2/20 0.40
RBP4 P02753 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
DHODH Q02127 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPIA P62937 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL16741102 0.85 KDM4E (0.47) SSTR4HTTHSD17B10RBP4NFE2L2
SCHEMBL28147400 0.81 HSP90AA1 (0.61) SSTR4HTTLMNAL3MBTL1MEN1
SCHEMBL16741032 0.80 L3MBTL1 (0.47) SSTR4HSD17B10RBP4L3MBTL1KDM4E
SCHEMBL2919947 0.77 NAPRT (0.53) HTTLMNAHDAC6METAP2METAP1
SCHEMBL5702580 0.76 KDM4E (0.50) HTTLMNAHDAC6METAP2METAP1
SCHEMBL18065921 0.75 SSTR4 (0.43) SSTR4HSD17B10RBP4L3MBTL1KDM4E
SCHEMBL16741099 0.75 SSTR4 (0.42) SSTR4HTTHSD17B10RBP4NFE2L2
SCHEMBL377461 0.74 LMNA (0.42) HTTLMNAHDAC6METAP2METAP1
SCHEMBL4372362 0.74 TSHR (0.44) SSTR4HTTHSD17B10RBP4NFE2L2
SCHEMBL21801971 0.74 SSTR4 (0.38) SSTR4HTTHSD17B10ELANERBP4

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-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed