SCHEMBL9952885

SCHEMBL9952885

C[Si](C)(C)CCOCn1cnc2c([N+](=O)[O-])cc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ BRD4 O60885 1/20 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
SCHEMBL23123661 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL31337206 0.81 DGAT1 (0.39) DGAT1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9953866 0.80 DGAT1 (0.36) DGAT1MEN1KMT2AL3MBTL1BRD4
SCHEMBL30897298 0.80 DGAT1 (0.41) DGAT1
SCHEMBL27250977 0.80 DGAT1 (0.41) DGAT1
SCHEMBL12289528 0.78 DGAT1 (0.34) DGAT1MEN1KMT2A
SCHEMBL12289557 0.78 DGAT1 (0.35) DGAT1
SCHEMBL12289551 0.78 DGAT1 (0.35) DGAT1
SCHEMBL30962569 0.77 DGAT1 (0.34) DGAT1
SCHEMBL2422457 0.76 DGAT1 (0.36) DGAT1

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed
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