SCHEMBL21894041

SCHEMBL21894041

C/C=C/C(=O)CCCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 4/20 0.35
CNR1 P21554 1/20 0.35
OXER1 Q8TDS5 3/20 0.34
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
ALOX12 P18054 1/20 0.31
IAPP P10997 1/20 0.30

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
SCHEMBL13196178 0.88 SOAT1 (0.34) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL15951536 0.82 RECQL (0.40) MEN1FAAHCYP3A4KMT2AKDM4E
SCHEMBL1497361 0.81 SLC22A6 (0.52) KDM4EOXER1PPARGPPARAALOX12
SCHEMBL1497359 0.81 SLC22A6 (0.52) KDM4EOXER1PPARGPPARAALOX12
SCHEMBL16466759 0.81
SCHEMBL13835285 0.81 ALDH1A1 (0.41) TRPA1KDM4EOXER1POLBPOLA1
SCHEMBL3677706 0.79 PAOX (0.48) MEN1CYP1A2KMT2ATRPA1POLB
SCHEMBL4201474 0.78
SCHEMBL160883 0.78
SCHEMBL178873 0.78

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
WO-2020131674-A1 7-((3,5-DIMETHOXYPHENYL)AMINO)QUINOXALINE DERIVATIVES AS FGFR INHIBITORS FOR TREATING CANCER ARRAY BIOPHARMA INC. (US) 2020-06-25 WO disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed