SCHEMBL29856253

SCHEMBL29856253

CCc1c(C=O)c2cc(OC)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31

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
SCHEMBL29856234 0.72 ALOX15 (0.40) MEN1KMT2AALDH1A1NNMT
SCHEMBL29856260 0.70 SLC22A12 (0.41) MEN1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL29856346 0.68 DYRK1A (0.34) ACSS2CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL1149532 0.67 MAT2A (0.39) ERN1MEN1NPC1RAB9AKMT2A
SCHEMBL1348764 0.65 ALDH1A1 (0.41) MEN1NPC1RAB9AKMT2AGABRP
SCHEMBL29856264 0.65 MAPT (0.39) CRHR1ACSS2MAPTNNMT
SCHEMBL16943001 0.63 LMNA (0.30) HTTMAPT
SCHEMBL29856981 0.63 ERN1 (0.39) ERN1MEN1NPC1RAB9AKMT2A
SCHEMBL16093663 0.63 DYRK1A (0.52) MEN1KMT2AGSK3BHPGDHTT
SCHEMBL12435903 0.62 MAPT (0.40) MEN1KMT2AGABRPGABRDGABRA1

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed