SCHEMBL6004401

SCHEMBL6004401

Cc1cccc(NCCO)c1[N+](=O)[O-].O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC(O)CO.O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
LMNA P02545 5/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
PKM P14618 3/20 0.48
GAA P10253 3/20 0.48
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 4/20 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
SCHEMBL29516649 0.83 KMT2A (0.62) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL108993 0.83 KMT2A (0.62) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL29392652 0.79 GAA (0.67) MAPTLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL112411 0.79 GAA (0.67) MAPTLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL29393615 0.76 KAT2B (0.68) MAPTALDH1A1KMT2APKMGAA
SCHEMBL125386 0.76 KAT2B (0.68) MAPTALDH1A1KMT2APKMGAA
SCHEMBL5697339 0.75 KMT2A (0.59) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9795841 0.75 KMT2A (0.50) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9776320 0.75 ALDH1A1 (0.53) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8992932 0.73 ALDH1A1 (0.53) MAPTLMNAALDH1A1SMN1; SMN2KMT2A

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-2006087195-A2 DYE COMPOSITION COMPRISING AT LEAST ONE METHINE DYE OF PARTICULAR STRUCTURE AND PROCESS FOR IMPLEMENTATION THEREOF L'OREAL (FR) 2006-08-24 WO disclosed