SCHEMBL28016816

SCHEMBL28016816

C[Si](C)(C)C#Cc1cccc2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.43
▸ CREBBP Q92793 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ TAF1 P21675 1/20 0.39
▸ BRPF1 P55201 1/20 0.39
▸ CECR2 Q9BXF3 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ AR P10275 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ BCHE P06276 3/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 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
SCHEMBL26259699 0.74 ALDH1A1 (0.39) CREBBPKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1420318 0.72 AHR (0.50) AHRCREBBPBRD4TAF1BRPF1
SCHEMBL18000241 0.72 AHR (0.55) AHRCREBBPBRD4TAF1BRPF1
SCHEMBL97591 0.72 AHR (0.50) AHRCREBBPBRD4TAF1BRPF1
SCHEMBL29361477 0.72 AHR (0.50) AHRCREBBPBRD4TAF1BRPF1
SCHEMBL5012545 0.71 GRM5 (0.49) CREBBPKEAP1CA1CA2KDM4E
Hydrochloric Acid SCHEMBL27757229 0.71 AHR (0.48) AHRCREBBPBRD4TAF1BRPF1
Hydrochloric Acid SCHEMBL3826755 0.71 AHR (0.48) AHRCREBBPBRD4TAF1BRPF1
Hydrochloric Acid SCHEMBL29363603 0.71 AHR (0.48) AHRCREBBPBRD4TAF1BRPF1
SCHEMBL3839029 0.70 KDM4E (0.49) CREBBPKDM4EMEN1ALDH1A1CYP1A2

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-104603127-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-06 — — CN disclosed
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