SCHEMBL20184452

SCHEMBL20184452

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncnc(-c3cccc([N+](=O)[O-])c3)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ DNPH1 O43598 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ CCNT1 O60563 3/20 0.34
▸ CDK9 P50750 3/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ AURKA O14965 1/20 0.34

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
SCHEMBL15032649 0.89 ALDH1A1 (0.38) LMNAALDH1A1DNPH1SMN1; SMN2KMT2A
SCHEMBL15032831 0.89 ALDH1A1 (0.38) LMNAALDH1A1DNPH1SMN1; SMN2RAB9A
SCHEMBL15009804 0.89 ALDH1A1 (0.42) LMNAALDH1A1DNPH1SMN1; SMN2NPC1
SCHEMBL15032820 0.87 PDE4A (0.42) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL15013994 0.87 ALDH1A1 (0.36) LMNAALDH1A1DNPH1KMT2AMEN1
SCHEMBL15032868 0.86 ALDH1A1 (0.36) LMNAALDH1A1DNPH1SMN1; SMN2NPC1
SCHEMBL15032650 0.84 ALDH1A1 (0.43) LMNAALDH1A1DNPH1KMT2AMEN1
SCHEMBL16245216 0.84 ALDH1A1 (0.41) LMNAALDH1A1DNPH1KMT2AMEN1
SCHEMBL15032806 0.83 DNPH1 (0.38) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032969 0.81 MAPT (0.37) LMNAALDH1A1DNPH1SMN1; SMN2KMT2A

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
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 — — EP disclosed
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