SCHEMBL9315352

SCHEMBL9315352

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
HTR1A P08908 3/20 0.50
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
NSD2 O96028 1/20 0.47
HSP90AA1 P07900 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL9315348 1.00 MAPT (0.56) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3900738 0.91 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3900730 0.91 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9314488 0.89 LMNA (0.55) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9314491 0.89 LMNA (0.55) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4883017 0.88 HTR1A (0.55) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL21799239 0.83 PRMT1 (0.60) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL21799238 0.83 PRMT1 (0.60) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL9315201 0.83 HTR1A (0.47) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL12151484 0.82 HTR1A (0.59) MAPTLMNASMN1; SMN2HTTHTR1A

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