SCHEMBL17826563

SCHEMBL17826563

O=[N+]([O-])c1ccc(OCCn2ccnc2)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
LMNA P02545 2/20 0.68
KDM4E B2RXH2 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.57
CYP19A1 P11511 3/20 0.54
KMT2A Q03164 1/20 0.54
PKM P14618 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL17323481 0.83 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EKMT2APKM
SCHEMBL76423 0.81 KMT2A (0.64) ALDH1A1LMNAKDM4ECYP19A1KMT2A
SCHEMBL4040630 0.80 ALDH1A1 (0.64) ALDH1A1LMNAKDM4ESMN1; SMN2CYP19A1
SCHEMBL7472307 0.79 TBXAS1 (0.61) ALDH1A1KDM4ESMN1; SMN2KMT2APOLB
SCHEMBL7907585 0.78 NPC1 (0.59) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL11221739 0.77 MAPT (0.56) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL16922787 0.76 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL15567163 0.74 LTA4H (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL6642525 0.74 QPCT (0.64) LMNAKDM4ECYP19A1KMT2APOLB
SCHEMBL19925993 0.73 NOS1 (0.65) LMNAKDM4ECYP19A1KMT2A

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
US-9364404-B2 Dye composition comprising a cationic O-alkyl-substituted meta-phenylenediamine derivative L'OREAL (FR) 2016-06-14 US disclosed