SCHEMBL13626330

SCHEMBL13626330

CN/C(NCc1ccccc1)=C(\C(=N)C#N)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MCL1 Q07820 2/20 0.40
HPGD P15428 1/20 0.39
MITF O75030 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
PLIN1 O60240 1/20 0.38
LMNA P02545 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13626281 0.83 CYP2C9 (0.40) HPGDMEN1KMT2AMAPTLMNA
SCHEMBL13626280 0.79 CYP2C9 (0.39) HPGDKMT2AMAPTCYP2C9CYP2C19
SCHEMBL13626329 0.77 GAA (0.37) HPGDMEN1KMT2AMAPTGAA
SCHEMBL22307403 0.73 MCL1 (0.47) MCL1HPGDMEN1KMT2AMAPT
SCHEMBL1817029 0.65 ALDH1A1 (0.45) HPGDMEN1KMT2AMAPTLMNA
SCHEMBL4014042 0.65 ALOX12 (0.52) PKMHPGDMEN1KMT2AMAPT
SCHEMBL18677833 0.64 HPGD (0.40) HPGDMEN1KMT2AMAPTGAA
SCHEMBL11694166 0.64 CYP2C9 (0.44) HPGDMEN1KMT2AMAPTLMNA
SCHEMBL653442 0.63 MCL1 (0.62) MCL1HPGDMEN1KMT2APLIN1
SCHEMBL17763697 0.63 MCL1 (0.61) PKMMCL1HPGDMEN1KMT2A

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
EP-2274286-B1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF PROCTER & GAMBLE (US) 2015-08-05 EP disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed