SCHEMBL9397486

SCHEMBL9397486

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.52
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NLRP3 Q96P20 1/20 0.44
KDM1A O60341 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
IL18 Q14116 1/20 0.43
IDO1 P14902 1/20 0.43
G6PD P11413 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL9397490 1.00 DHODH (0.52) DHODHMAPTLMNATSHRHTT
SCHEMBL9178455 0.86 TP53 (0.56) DHODHMAPTLMNAHTTMEN1
SCHEMBL9178663 0.86 DHODH (0.52) DHODHMAPTLMNATSHRMEN1
SCHEMBL9178618 0.86 MEN1 (0.59) DHODHMAPTLMNATSHRHTT
SCHEMBL9182765 0.86 DHODH (0.52) DHODHTSHRMEN1KMT2APKM
SCHEMBL9178670 0.86 DHODH (0.52) DHODHMAPTLMNATSHRMEN1
SCHEMBL9178461 0.86 TP53 (0.56) DHODHMAPTLMNAHTTMEN1
SCHEMBL9182762 0.86 DHODH (0.52) DHODHTSHRMEN1KMT2APKM
SCHEMBL9178625 0.86 MEN1 (0.59) DHODHMAPTLMNATSHRHTT
SCHEMBL201980 0.83 RXFP1 (0.57) MAPTLMNATSHRHTTNLRP3

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
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