SCHEMBL27675735

SCHEMBL27675735

CCN(CCO)c1ccc(C)c(N=Nc2ncc([N+](=O)[O-])s2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.58
▸ KMT2A Q03164 7/20 0.36
▸ MAPT P10636 7/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ MEN1 O00255 6/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ALDH1A1 P00352 7/20 0.34
▸ TSHR P16473 1/20 0.34
▸ STAT3 P40763 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HPGD P15428 2/20 0.32

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
SCHEMBL2360952 0.92 KDR (0.68) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL2360954 0.92 KDR (0.68) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL29482612 0.92 KDR (0.68) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL27684456 0.86 KDR (0.53) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL17038721 0.83 KDR (0.73) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL29356197 0.83 KDR (0.73) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL27902734 0.81 KDR (0.56) KDRKMT2ANPC1RAB9AMEN1
SCHEMBL4466001 0.80 KDR (0.48) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL25292441 0.80 KDR (0.62) KDRKMT2AMAPTNPC1RAB9A
SCHEMBL30341070 0.80 KDR (0.62) KDRKMT2AMAPTNPC1RAB9A

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
CN-101065163-A Colouring agents containing cationic indazoline-thiazolazo dyes PROCTER & GAMBLE (US) 2007-10-31 — — CN disclosed
CN-101001921-A Cationic pyrazolone dyes method for production thereof and colouring agents for keratin fibres containing said compounds WELLA AG (DE) 2007-07-18 — — CN disclosed
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