SCHEMBL20528629

SCHEMBL20528629

Cc1cc(Nc2ccccc2)nc(NCCc2ccccc2)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
AURKA O14965 9/20 0.53
CYP2D6 P10635 6/20 0.53
CYP3A4 P08684 6/20 0.53
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 4/20 0.47
RPS27 P42677 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL29785582 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL29785489 0.91 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL11313928 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL11133237 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EGAAHPGDAURKA
SCHEMBL1497998 0.83 ALDH1A1 (0.76) ALDH1A1KDM4EGAAHPGDAURKA
SCHEMBL11313929 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL13989417 0.81 AURKA (0.56) ALDH1A1KDM4EHPGDAURKACYP2D6
SCHEMBL10976698 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAHPGDAURKA
SCHEMBL11122384 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHPGDAURKA
SCHEMBL11030558 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHPGDAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3607002-B1 COLORANT MIXTURES ARCHROMA SWITZERLAND GMBH (CH) 2024-11-27 EP disclosed
CN-110461950-B Colorant mixture 亨斯迈先进材料(瑞士)有限公司 2022-08-23 CN disclosed
US-11407912-B2 Colorant mixtures HUNTSMAN INTERNATIONAL LLC (US) 2022-08-09 US disclosed
US-20210130631-A1 Colorant Mixtures HUNTSMAN INTERNATIONAL LLC 2021-05-06 US disclosed
EP-3607002-A1 COLORANT MIXTURES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2020-02-12 EP disclosed
WO-2018184770-A1 COLORANT MIXTURES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2018-10-11 WO disclosed