SCHEMBL23423499

SCHEMBL23423499

CCOC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
MAPT P10636 4/20 0.55
DHODH Q02127 4/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NFKB1 P19838 2/20 0.52
MAPK1 P28482 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GMNN O75496 1/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
UGT1A1 P22309 1/20 0.51

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
SCHEMBL8689929 0.87 LMNA (0.69) HTTMAPTDHODHNFKB1MAPK1
SCHEMBL12478898 0.86 DHODH (0.65) HTTMAPTDHODHNPC1RAB9A
SCHEMBL11833609 0.85 HTT (0.68) HTTMAPTDHODHNPC1RAB9A
SCHEMBL12478838 0.84 RAB9A (0.65) HTTMAPTDHODHNPC1RAB9A
SCHEMBL10377167 0.83 RAB9A (0.70) HTTMAPTDHODHNPC1RAB9A
SCHEMBL17363214 0.82 MAPT (0.51) MAPTDHODHNPC1RAB9ANFKB1
SCHEMBL17181734 0.82 HTT (0.53) HTTMAPTMAPK1LMNAALDH1A1
SCHEMBL23388857 0.81 DHODH (0.74) HTTMAPTDHODHNPC1RAB9A
SCHEMBL22452610 0.81 DHODH (0.51) HTTMAPTDHODHNPC1RAB9A
SCHEMBL23388895 0.80 LMNA (0.58) MAPTDHODHNPC1RAB9ANFKB1

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-2021102204-A1 HETEROARYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2021-05-27 WO disclosed