SCHEMBL6542019

SCHEMBL6542019

CCCCCCC[N]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
DNM1 Q05193 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 2/20 0.38
KCNH2 Q12809 1/20 0.38
NAAA Q02083 1/20 0.38
KCNA3 P22001 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3542927 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL6716782 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL5964912 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL1669437 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL96871 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL6717183 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL96272 0.98 LTA4H (0.38) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL49576 0.91 LTA4H (0.38) MEN1KMT2AALDH1A1SMN1; SMN2CES2
SCHEMBL95534 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TP53MAPK1
Azobenzene SCHEMBL27918792 0.79 ALDH1A1 (0.60) MEN1KMT2ADNM1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed
EP-0597287-B1 Process for the preparation of anthraquinones BASF AG (DE) 1996-04-10 EP disclosed
US-5387704-A Preparation of anthraquinones BASF AKTIENGESELLSCHAFT (DE) 1995-02-07 US disclosed
EP-0597287-A1 Process for the preparation of anthraquinones BASF Aktiengesellschaft (DE) 1994-05-18 EP disclosed