SCHEMBL29217657

SCHEMBL29217657

C/C(=C/C(=O)O)Nc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 3/20 0.53
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MTOR P42345 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK10 P53779 1/20 0.49
KCNH2 Q12809 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL4687025 0.82 HSD17B10 (0.64) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL4687023 0.82 HSD17B10 (0.64) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL4687017 0.82 HSD17B10 (0.64) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL1975200 0.81 MAPT (0.63) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL14482921 0.81 MAPT (0.63) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL1975201 0.81 MAPT (0.63) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL10874198 0.81 MEN1 (0.60) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL29217646 0.81 MAPT (0.59) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL10874192 0.81 MEN1 (0.60) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL10004256 0.80 MEN1 (0.55) MEN1KMT2ARAB9ANPC1HPGD

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-117756785-A Preparation and application of N- (pyridine-2-yl) benzo [ b ] five-membered heterocycle-3-carboxamide structure compound 江西中医药大学 2024-03-26 CN disclosed