SCHEMBL31169366

SCHEMBL31169366

COC(C)(C)c1ccc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1818004 1.00 GBA1 (0.36) GBA1HSD17B10ALDH1A1KDM4EATM
SCHEMBL15001188 0.82 GBA1 (0.35) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15001209 0.82 GBA1 (0.35) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15001190 0.82 GBA1 (0.35) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL210731 0.80 GBA1 (0.35) GBA1ALDH1A1KDM4EATMRAB9A
SCHEMBL1818566 0.79 GBA1 (0.41) GBA1ALDH1A1KDM4EATMRAB9A
SCHEMBL19062001 0.79 GBA1 (0.33) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL29926723 0.79 GBA1 (0.41) GBA1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL681100 0.79 GBA1 (0.41) GBA1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL3509480 0.78 GBA1 (0.33) GBA1ALDH1A1KDM4E

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-118748993-A Indazole compounds and medicaments 日本新药株式会社 2024-10-08 CN disclosed