SCHEMBL12704502

SCHEMBL12704502

Cc1c(C#N)c(NCCO)nc(NCCO)c1/N=N/c1ccc2cc(S(=O)(=O)CCN(CC(C)O)CC(C)O)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.34
▸ MAPK9 P45984 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ AURKA O14965 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
SCHEMBL12704486 0.94 KMT2A (0.38) MAPK8MAPK9ALDH1A1KMT2AMEN1
SCHEMBL14541230 0.88 ALDH1A1 (0.34) MAPK8MAPK9ALDH1A1KMT2AMEN1
SCHEMBL12704507 0.86 CCNA2 (0.33) ALDH1A1KMT2AMEN1MAPTCCNA2
SCHEMBL12704515 0.86 CCNA2 (0.32) ALDH1A1KMT2AMEN1MAPTCCNA2
SCHEMBL12704485 0.84 KMT2A (0.40) MAPK8MAPK9ALDH1A1KMT2AMEN1
SCHEMBL13893726 0.84 SYK (0.31) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL13989649 0.81 THRB (0.32) —
SCHEMBL12704484 0.81 KMT2A (0.40) MAPK8MAPK9ALDH1A1KMT2AMEN1
SCHEMBL12704542 0.80 CCNA2 (0.34) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL12704545 0.80 CCNA2 (0.33) ALDH1A1KMT2AMEN1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092621-A1 DYES WITH POLYESTER SIDE CHAIN FOR POLYMER-COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-04-21 — — US disclosed
US-20110092621-A1 DYES WITH POLYESTER SIDE CHAIN FOR POLYMER-COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-04-21 — — US disclosed
WO-2009040318-A2 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-04-02 — — WO disclosed
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