SCHEMBL9315201

SCHEMBL9315201

COc1ccc([N+](=O)[O-])c(C=C(C)[N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR35 Q9HC97 1/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
ABCB1 P08183 1/20 0.41

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
SCHEMBL9314428 0.90 CTSV (0.41) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL4883017 0.85 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL9315348 0.83 MAPT (0.56) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL9315352 0.83 MAPT (0.56) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL12151484 0.80 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL3276594 0.78 CTSV (0.53) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL3904800 0.76 NPC1 (0.50) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL6802414 0.76 MAPT (0.72) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3064358 0.76 MAPT (0.66) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3064354 0.76 MAPT (0.66) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed
US-5131911-A Hair dyes L'OREAL (FR) 1992-07-21 US disclosed