SCHEMBL6541774

SCHEMBL6541774

Cn1c(-c2cccc(-c3cc([N+](=O)[O-])cc(-c4cccc(-c5nc6c7ccccc7c7ccccc7c6n5C)c4)[n+]3[O-])c2)nc2c3ccccc3c3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.39
▸ PKM P14618 2/20 0.39
▸ POLB P06746 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL2947822 0.86 MAPT (0.51) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL2954971 0.80 ALDH1A1 (0.58) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL762055 0.76 KMT2A (0.50) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL822576 0.72 HPGD (0.55) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL2954590 0.70 KMT2A (0.48) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL16692184 0.68 KDM4E (0.50) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL13625405 0.67 KDM4E (0.52) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL16692180 0.66 KDM4E (0.48) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL16692125 0.66 KDM4E (0.48) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL762312 0.65 KDM4E (0.50) MAPTMEN1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004030029-A2 CONDUCTING POLYMER DEVICES FOR INTER-CONVERTING LIGHT AND ELECTRICITY RISØ NATIONAL LABORATORY (DK) 2004-04-08 — — WO disclosed
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