SCHEMBL22649482

SCHEMBL22649482

C=C(C)C(F)(F)c1cc(C(=O)O)n(C)n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.61
SORT1 Q99523 5/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSL P07711 1/20 0.34
KLKB1 P03952 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 1/20 0.33
PKM P14618 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL22649229 0.86 GRN (0.64) GRNSORT1KDM4EMAPTCA12
Hydrochloric Acid SCHEMBL8932269 0.83 GRN (0.69) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL17920 0.82 GRN (0.71) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL22649463 0.81 GRN (0.39) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL2355530 0.79 GRN (0.67) GRNSORT1KDM4EMAPTCA12
SCHEMBL26250857 0.79 GRN (0.67) GRNSORT1KDM4EMAPTCA12
Hydrochloric Acid SCHEMBL8760885 0.78 GRN (0.96) GRNSORT1KDM4EMAPTCTSL
SCHEMBL22649287 0.78 GRN (0.61) GRNSORT1KDM4EMAPTCA12
SCHEMBL1572486 0.76 GRN (1.00) GRNSORT1KDM4EMAPTCTSL
SCHEMBL2362846 0.75 GRN (0.61) GRNSORT1KDM4EMAPTCA12

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
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed