SCHEMBL10899040

SCHEMBL10899040

C=CCN1C(=O)C(C)S/C1=N/N=C1/SC(COP(=O)(OCC2S/C(=N/N=C3/SC(C)C(=O)N3CC=C)N(C)C2=O)OCC2S/C(=N/N=C3/SC(C)C(=O)N3CC=C)N(C)C2=O)C(=O)N1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ BLM P54132 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
SCHEMBL10899048 0.92 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAAPOLBMEN1
SCHEMBL11202912 0.92 ALDH1A1 (0.42) ALDH1A1L3MBTL1GAAPOLBMEN1
SCHEMBL10890866 0.83 LMNA (0.39) ALDH1A1POLBNPC1KDM4ELMNA
SCHEMBL11097940 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL10880739 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAPOLBMEN1
SCHEMBL10880745 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAPOLBMEN1
SCHEMBL9492049 0.76 ALDH1A1 (0.39) ALDH1A1L3MBTL1GAAPOLBMEN1
SCHEMBL10890872 0.75 LMNA (0.40) ALDH1A1GAAPOLBKDM4ELMNA
SCHEMBL11200754 0.75 ALDH1A1 (0.39) ALDH1A1POLBLMNAMAPTRECQL
SCHEMBL10887977 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAPOLBMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4582841-A ANTITUMOR AND -CARCINOGENIC AGENTS CIBA-GEIGY CORPORATION (US) 1986-04-15 — — US disclosed
US-4489069-A ANTITUMOR CIBA-GEIGY AG (CH) 1984-12-18 — — US disclosed
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