SCHEMBL31399295

SCHEMBL31399295

N#Cc1ccc(C#N)c(C#N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ TRPV4 Q9HBA0 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ AR P10275 3/20 0.37
▸ PGR P06401 2/20 0.37
▸ UPP1 Q16831 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL152358 1.00 TSHR (0.39) TSHRTRPV4ALDH1A1KDM4EMAPT
Acetonitrile SCHEMBL9498906 0.91 ALDH1A1 (0.40) TSHRTRPV4ALDH1A1KDM4EMAPT
Hexamethylbenzene SCHEMBL4271177 0.88 TSHR (0.44) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL9843268 0.86 AR (0.33) TSHRTRPV4ALDH1A1KDM4EMAPT
SCHEMBL20690651 0.84 AR (0.42) TSHRTRPV4ALDH1A1KDM4EMAPT
SCHEMBL7299363 0.84 UPP1 (0.34) TSHRTRPV4ALDH1A1KDM4EMAPT
SCHEMBL3842875 0.84 TRPV4 (0.35) TSHRTRPV4ALDH1A1KDM4EMAPT
SCHEMBL17570552 0.84 TSHR (0.46) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL10734596 0.84 KDM4E (0.36) TSHRTRPV4ALDH1A1KDM4EMAPT
SCHEMBL27947357 0.84 TRPV4 (0.40) TSHRTRPV4ALDH1A1KDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119487586-A Method for producing sulfide solid electrolyte 出光兴产株式会社 2025-02-18 — — CN disclosed
CN-119452436-A Method for producing sulfide solid electrolyte 出光兴产株式会社 2025-02-14 — — CN disclosed
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