SCHEMBL29696948

SCHEMBL29696948

NC(=O)c1ccc(NCC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.52
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRSS1 P07477 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
F2 P00734 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1542761 0.83 EPHX2 (0.46) ALDH1A1L3MBTL1
SCHEMBL1542717 0.79 POLB (0.61) ALDH1A1SMN1; SMN2MAPK1KDM4ENPC1
SCHEMBL12678698 0.79 PLK1 (0.49) HDAC8HDAC6SMN1; SMN2
SCHEMBL24243468 0.79 ALDH1A1 (0.46) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL8953866 0.77 PRSS1 (0.48) ALDH1A1L3MBTL1PRSS1SMN1; SMN2MAPK1
SCHEMBL17315503 0.77 PRSS1 (0.48) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL10694847 0.76 SMN1; SMN2 (0.54) HDAC1ALDH1A1L3MBTL1PRSS1SMN1; SMN2
SCHEMBL8602089 0.76 PRSS1 (0.47) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL13985099 0.75 PDK1 (0.58) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL13985100 0.75 NPC1 (0.59) HDAC8HDAC6KDM4ENPC1RAB9A

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
EP-4267553-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-11-01 EP disclosed
WO-2022140520-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-30 WO disclosed