SCHEMBL29617939

SCHEMBL29617939

Cn1c(=O)n(CCCC(F)(F)F)c2c(O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 2/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ AGER Q15109 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL29617925 0.82 GAA (0.46) TRPC5CNR2TSHRNPC1TNF
SCHEMBL13354934 0.72 HTT (0.46) ALDH1A1MAPTHTTLMNA
SCHEMBL1856452 0.72 TSHR (0.44) TRPC5TSHRALDH1A1NPC1CYP1A2
Hydrochloric Acid SCHEMBL1854742 0.71 TSHR (0.43) TRPC5TSHRALDH1A1NPC1CYP1A2
SCHEMBL25246017 0.71 ALDH1A1 (0.39) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL29617936 0.70 CDK9 (0.46) TSHRALDH1A1TNFMAPTHTT
SCHEMBL25294278 0.69 RXFP1 (0.39) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL1855269 0.69 TSHR (0.40) TRPC5TSHRALDH1A1NPC1CYP1A2
SCHEMBL12140920 0.68 CYP1A2 (0.56) TSHRALDH1A1NPC1CYP1A2MEN1
SCHEMBL1135841 0.66 DAO (0.50) TSHRALDH1A1NPC1MEN1KMT2A

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-2022092084-A1 FUSED HETEROCYCLE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT クミアイ化学工業株式会社 2022-05-05 — — WO disclosed
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