SCHEMBL5879619

SCHEMBL5879619

O=C1c2ccccc2C(=O)N1Cc1csc(Nc2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.55
▸ KMT2A Q03164 11/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPT P10636 4/20 0.52
▸ POLB P06746 3/20 0.52
▸ MECP2 P51608 1/20 0.50
▸ KCNN1 Q92952 1/20 0.50
▸ KCNN2 Q9H2S1 1/20 0.50
▸ MBD2 Q9UBB5 1/20 0.50
▸ KCNN3 Q9UGI6 1/20 0.50
▸ NPC1 O15118 12/20 0.49
▸ RAB9A P51151 11/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ NFKB1 P19838 3/20 0.48
▸ NFKB2 Q00653 3/20 0.48
▸ RELA Q04206 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 2/20 0.48

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
SCHEMBL5879523 0.76 MECP2 (0.60) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL24102119 0.76 MECP2 (0.56) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL18342110 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL23027787 0.74 POLB (0.84) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL30711693 0.72 ALDH1A1 (1.00) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL2959641 0.72 ALDH1A1 (1.00) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL12271588 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3147864 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL19762475 0.72 PKM (0.74) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL22639923 0.72 PDE5A (0.55) MEN1KMT2AALDH1A1MAPTPOLB

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
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 — — US disclosed
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