SCHEMBL9178663

SCHEMBL9178663

C=C(C)/C(O)=C(\C#N)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
THRB P10828 1/20 0.49
BLM P54132 1/20 0.49
BTK Q06187 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PLK3 Q9H4B4 1/20 0.49
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 2/20 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
SCHEMBL9178670 1.00 DHODH (0.52) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL9397490 0.86 DHODH (0.52) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL9178455 0.86 TP53 (0.56) DHODHMEN1KMT2AALDH1A1LMNA
SCHEMBL9178618 0.86 MEN1 (0.59) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL9182762 0.86 DHODH (0.52) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL9178461 0.86 TP53 (0.56) DHODHMEN1KMT2AALDH1A1LMNA
SCHEMBL9178625 0.86 MEN1 (0.59) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL9182765 0.86 DHODH (0.52) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL9397486 0.86 DHODH (0.52) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL5914890 0.85 DHODH (0.70) DHODHMEN1KMT2AALDH1A1TSHR

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 6 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 claimed
US-5308865-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1994-05-03 US claimed
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 claimed
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
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