SCHEMBL21766426

SCHEMBL21766426

C=Cc1c(C)nn(CC)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
POLB P06746 1/20 0.34
PDXK O00764 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APAF1 O14727 1/20 0.33

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
SCHEMBL17917631 0.79 ALDH1A1 (0.48) NPC1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL21753564 0.76 NPC1 (0.44) NPC1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL20874552 0.76 GAA (0.51) NPC1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1326752 0.76 KDM4E (0.51) NPC1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL26924428 0.76 NPC1 (0.44) NPC1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL21753597 0.76 KDM4E (0.45) NPC1ALDH1A1MAPTKDM4EGAA
SCHEMBL23134841 0.75 SMN1; SMN2 (0.40) NPC1ATMALDH1A1MAPTSMN1; SMN2
SCHEMBL17914524 0.74 NPC1 (0.42) NPC1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5416311 0.71 MAPT (0.57) NPC1ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL19436519 0.69 NPC1 (0.44) NPC1ALDH1A1MAPTKDM4ELMNA

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-2020038387-A1 HIGH ACTIVITY STING PROTEIN AGONIST 杭州阿诺生物医药科技有限公司 2020-02-27 WO disclosed