SCHEMBL29196360

SCHEMBL29196360

CONCc1ccc(C#N)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KCNH2 Q12809 3/20 0.38
HTR2A P28223 3/20 0.38
SLC6A4 P31645 3/20 0.37
VNN1 O95497 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
P2RX7 Q99572 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL30887531 1.00 NR3C1 (0.40) NR3C1PGRNR3C2FFAR1FFAR4
SCHEMBL320376 0.83 LOXL2 (0.50) NR3C1PGRNR3C2FFAR1FFAR4
SCHEMBL30887509 0.81 HTR2A (0.47) KCNH2HTR2ASLC6A4SLC6A3MEN1
SCHEMBL29196350 0.81 HTR2A (0.47) KCNH2HTR2ASLC6A4SLC6A3MEN1
SCHEMBL29506809 0.78 NR3C1 (0.43) NR3C1PGRNR3C2FFAR1FFAR4
SCHEMBL3641589 0.78 NR3C1 (0.43) NR3C1PGRNR3C2FFAR1FFAR4
SCHEMBL29171043 0.78 FFAR1 (0.39) NR3C1PGRNR3C2FFAR1FFAR4
SCHEMBL6077476 0.78 IDO1 (0.48) P2RX7MEN1KMT2A
SCHEMBL1642300 0.75 FFAR1 (0.48) NR3C1PGRNR3C2FFAR1FFAR4
SCHEMBL6942504 0.75 FFAR1 (0.45) NR3C1PGRNR3C2FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924277-A Oxime ether compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-26 CN disclosed