SCHEMBL11126131

SCHEMBL11126131

C=CC(OC#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ ALOX15 P16050 3/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPGD P15428 3/20 0.31
▸ USP2 O75604 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PBRM1 Q86U86 1/20 0.30
▸ DPP4 P27487 2/20 0.30

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
SCHEMBL1754891 0.80 CYP2C19 (0.35) TSHRSMN1; SMN2KDM4EMAPTCYP3A4
SCHEMBL194133 0.77 KDM4E (0.40) TSHRKDM4EMAPTCYP3A4ALOX15
SCHEMBL16308021 0.77 KDM4E (0.40) TSHRKDM4EMAPTCYP3A4ALOX15
SCHEMBL3802806 0.76 CYP2C19 (0.36) TSHRSMN1; SMN2KDM4EMAPTCYP3A4
SCHEMBL2488648 0.76 CYP2C19 (0.36) TSHRSMN1; SMN2KDM4EMAPTCYP3A4
SCHEMBL252297 0.76 CYP3A4 (0.37) TSHRSMN1; SMN2KDM4EMAPTCYP3A4
SCHEMBL19914871 0.76 TRPA1 (0.38) TSHRTRPA1SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10792318 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2950286 0.74 CYP2C19 (0.35) TSHRSMN1; SMN2KDM4EMAPTCYP3A4
SCHEMBL17616783 0.72 CYP2C19 (0.34) TSHRSMN1; SMN2KDM4EMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104220447-B Silicon compound and its manufacture method and its application 东洋橡胶工业株式会社 2017-09-01 — — CN disclosed
CN-104220447-A Silicon compound and method for producing same, and use thereof TOYO TIRE & RUBBER CO 2014-12-17 — — CN disclosed
US-4430326-A Method of diminishing glucose levels resulting from endogenous glucagon UNIVERSITY PATENTS, INC. (US) 1984-02-07 — — US disclosed
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