SCHEMBL29115342

SCHEMBL29115342

CC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1nc2ccccc2c2ccc(C#N)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.42
▸ ABCG2 Q9UNQ0 4/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ACP1 P24666 2/20 0.35
▸ CA1 P00915 2/20 0.35

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
SCHEMBL29115446 0.91 KDM1A (0.40) KDM1AABCG2ABCB1ALDH1A1CYP1A2
SCHEMBL28732552 0.71 ACP1 (0.43) KDM1AABCG2ABCB1ALDH1A1CYP1A2
SCHEMBL28833015 0.71 KDM1A (0.43) KDM1AABCG2ABCB1ALDH1A1CYP1A2
SCHEMBL18934329 0.68 CA1 (0.53) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL31567609 0.68 CA1 (0.43) KDM1AABCG2ABCB1ALDH1A1CYP1A2
SCHEMBL22853021 0.66 CLK4 (0.42) ALDH1A1CYP1A2MEN1KMT2ACYP3A4
SCHEMBL29156682 0.66 KCNA5 (0.42) KDM1AABCG2ABCB1ALDH1A1CYP1A2
SCHEMBL28091366 0.65 KDM1A (0.45) KDM1AABCG2ABCB1ALDH1A1CYP1A2
SCHEMBL22853020 0.65 KIF11 (0.47) ALDH1A1TSHRCA2
SCHEMBL17742243 0.64 ALDH1A1 (0.61) KDM1AABCG2ABCB1ALDH1A1CYP1A2

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-117143138-A Preparation method of silicon-containing phenanthridine compound 扬州大学 2023-12-01 — — CN disclosed
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