SCHEMBL9769280

SCHEMBL9769280

COC(=O)c1cn(C)c2cc(OC(C)=O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.58
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL5243737 0.87 NR4A2 (0.63) NR4A2BRD4ALDH1A1KMT2ALMNA
SCHEMBL9161064 0.80 SRC (0.61) NR4A2ALDH1A1KMT2ALMNAMEN1
SCHEMBL5246371 0.80 NR4A2 (0.65) NR4A2BRD4ALDH1A1KMT2ALMNA
SCHEMBL7985067 0.78 NR4A2 (0.64) NR4A2ALDH1A1
SCHEMBL19202569 0.78 NR4A2 (0.63) NR4A2BRD4ALDH1A1KMT2ALMNA
SCHEMBL497718 0.78 NR4A2 (0.63) NR4A2BRD4ALDH1A1KMT2ALMNA
SCHEMBL2434205 0.77 NR4A2 (0.58) NR4A2BRD4LMNAHPGDSMN1; SMN2
SCHEMBL2495561 0.74 NR4A2 (0.54) NR4A2BRD4ALDH1A1KMT2ALMNA
SCHEMBL1092934 0.74 NR4A2 (1.00) NR4A2BRD4ALDH1A1KMT2ALMNA
SCHEMBL31621504 0.74 NR4A2 (1.00) NR4A2BRD4ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US claimed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US disclosed
EP-0360638-A1 Process for dyeing keratinous fibres with an indole derivative associated with a nitrite, and composition therefor L'OREAL (FR) 1990-03-28 EP disclosed