SCHEMBL9178461

SCHEMBL9178461

C=C(C)C(O)=C(C#N)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
MAPK10 P53779 1/20 0.56
DHODH Q02127 6/20 0.53
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
G6PD P11413 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL9178455 1.00 TP53 (0.56) TP53MAPK10DHODHRAB9AALDH1A1
SCHEMBL9178670 0.86 DHODH (0.52) DHODHRAB9AALDH1A1MEN1KMT2A
SCHEMBL9397486 0.86 DHODH (0.52) DHODHRAB9AALDH1A1MEN1KMT2A
SCHEMBL9178618 0.86 MEN1 (0.59) TP53DHODHRAB9AALDH1A1MEN1
SCHEMBL9178625 0.86 MEN1 (0.59) TP53DHODHRAB9AALDH1A1MEN1
SCHEMBL9178663 0.86 DHODH (0.52) DHODHRAB9AALDH1A1MEN1KMT2A
SCHEMBL9182765 0.86 DHODH (0.52) TP53MAPK10DHODHALDH1A1MEN1
SCHEMBL9182762 0.86 DHODH (0.52) TP53MAPK10DHODHALDH1A1MEN1
SCHEMBL9397490 0.86 DHODH (0.52) DHODHRAB9AALDH1A1MEN1KMT2A
SCHEMBL5914911 0.85 DHODH (0.71) TP53MAPK10DHODHRAB9AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551230-B1 Cyano-2-hydroxy-3-enamide derivatives, process for their preparation, their use as drugs, pharmaceutical compositions containing them and intermediates obtained ROUSSEL UCLAF (FR) 1995-07-19 EP disclosed
US-5308865-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1994-05-03 US disclosed
CN-1079216-A New enamides and method for making thereof and application ROUSSEL UCLAF (FR) 1993-12-08 CN disclosed
EP-0551230-A1 Cyano-2-hydroxy-3-enamide derivatives, process for their preparation, their use as drugs, pharmaceutical compositions containing them and intermediates obtained ROUSSEL UCLAF (FR) 1993-07-14 EP disclosed