SCHEMBL29229906

SCHEMBL29229906

C#CCN(C(=N)Nc1ccccc1C(C)C)c1ccccc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 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
SCHEMBL28560973 0.78 KMT2A (0.40) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11760747 0.72 ALDH1A1 (0.40) KMT2ANPSR1POLBALDH1A1LMNA
SCHEMBL30479702 0.72 GRIN2D (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6721277 0.72 GRIN2D (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7612509 0.69 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6155405 0.68 SIGMAR1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7483167 0.68 SIGMAR1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6859234 0.67 KDM4E (0.42) KMT2ANPSR1MAPTRECQLALDH1A1
SCHEMBL6724000 0.67 SIGMAR1 (0.52) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716621 0.67 SIGMAR1 (0.46) KMT2ASIGMAR1GAAALOX12NPSR1

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-118201782-A Coated rubber composition for RFID tag and tire 株式会社普利司通 2024-06-14 — — CN disclosed
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