SCHEMBL29741053

SCHEMBL29741053

C=C(C)c1c(C(=O)O)ccnc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ ASPH Q12797 2/20 0.40
▸ KDM8 Q8N371 2/20 0.40
▸ KDM5A P29375 7/20 0.36
▸ PLCG1 P19174 1/20 0.35
▸ KDM5B Q9UGL1 5/20 0.35
▸ KDM4C Q9H3R0 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ HIF1AN Q9NWT6 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PSMD14 O00487 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL28371872 0.77 KDM4E (0.41) KDM4EASPHKDM8KDM5APLCG1
SCHEMBL27830741 0.73 SMN1; SMN2 (0.42) KDM4EASPHKDM8KDM5APLCG1
SCHEMBL3465039 0.73 PLCG1 (0.38) KDM4EASPHKDM8KDM5APLCG1
SCHEMBL6595252 0.73 KDM5B (0.38) KDM4EASPHKDM8KDM5APLCG1
SCHEMBL29740944 0.72 KDM4E (0.40) KDM4EASPHKDM8KDM5AL3MBTL1
SCHEMBL7626461 0.71 CYP1A2 (0.48) KDM4ETDP1ALDH1A1ALOX15TSHR
SCHEMBL29740979 0.71 LRRK2 (0.47) KDM4EKDM5ALMNATDP1ALDH1A1
SCHEMBL22890667 0.71 LRRK2 (0.47) KDM4EKDM5ALMNATDP1ALDH1A1
SCHEMBL1663588 0.69 KDM4E (0.57) KDM4EPLCG1KDM4CL3MBTL1KDM4A
SCHEMBL30630522 0.69 PLCG1 (0.37) KDM4EPLCG1KDM4CRAB9AALDH1A1

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-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 — — WO disclosed
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