SCHEMBL9501468

SCHEMBL9501468

Nc1cccc(OC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
CYP3A4 P08684 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PBRM1 Q86U86 1/20 0.52
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46
KDR P35968 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 1/20 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
SCHEMBL363290 0.86 CYP3A4 (0.63) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL7753277 0.85 CYP3A4 (0.54) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1040127 0.84 KMT2A (0.62) CYP3A4MEN1KMT2ALMNANPSR1
SCHEMBL4267736 0.83 MEN1 (0.76) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL20425429 0.83 CYP3A4 (0.52) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL13461312 0.82 CYP3A4 (0.50) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1546422 0.81 KMT2A (0.59) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL13292720 0.80 PRSS1 (0.51) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL30473277 0.80 PRSS1 (0.51) MAOBCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL6207157 0.80 MAOA (0.57) CYP3A4PBRM1LMNAMAPTPOLB

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
EP-0356681-B1 DISAZO DYES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0356681-A1 Disazo dyes BAYER AG (DE) 1990-03-07 EP disclosed