SCHEMBL30496705

SCHEMBL30496705

N=C(N)NCCc1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.41
IDO1 P14902 1/20 0.41
RPS6KB1 P23443 1/20 0.40
AKT1 P31749 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
PLA2G1B P04054 1/20 0.37
GAA P10253 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAPK8 P45983 1/20 0.37
CMA1 P23946 1/20 0.37
DAO P14920 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL17199004 1.00 ST14 (0.41) ST14IDO1RPS6KB1AKT1KMT2A
Hydrochloric Acid SCHEMBL30496727 0.98 ST14 (0.41) ST14IDO1RPS6KB1AKT1KMT2A
Hydrochloric Acid SCHEMBL28129396 0.98 ST14 (0.41) ST14IDO1RPS6KB1AKT1KMT2A
SCHEMBL17198939 0.87 ST14 (0.38) ST14IDO1RPS6KB1AKT1KMT2A
SCHEMBL29444605 0.87 MAPT (0.44) ST14IDO1MAPTCA1CA2
SCHEMBL3921724 0.87 MAPT (0.44) ST14IDO1MAPTCA1CA2
SCHEMBL30602876 0.87 MAPT (0.44) ST14IDO1MAPTCA1CA2
SCHEMBL29444602 0.87 ESRRG (0.45) ST14KMT2AMAPTCA1CA2
SCHEMBL19235667 0.87 ESRRG (0.45) ST14KMT2AMAPTCA1CA2
Hydrochloric Acid SCHEMBL30496748 0.86 ST14 (0.37) ST14IDO1RPS6KB1AKT1KMT2A

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-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed