SCHEMBL8976050

SCHEMBL8976050

COc1ccc(NNc2ccccc2Br)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
LPAR1 Q92633 2/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7067490 0.79 CXCR2 (0.48) ALDH1A1GAAKDM4EMAPT
SCHEMBL7213007 0.77 ALDH1A1 (0.48) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL27976707 0.74 ALDH1A1 (0.56) ALDH1A1GAAHPGDRAB9AMAPT
SCHEMBL27471732 0.73 ALDH1A1 (0.59) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL10654413 0.72 CA12 (0.60) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL10784214 0.72 ALDH1A1 (0.57) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL20605197 0.72 L3MBTL1 (0.50) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL10785269 0.71 GAA (0.70) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL28857306 0.71 CYP1A1 (0.56) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL1547457 0.71 ALDH1A1 (0.61) ALDH1A1GAAHPGDRAB9AMAPT

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-0705295-A1 ELECTRICALLY CONDUCTING POLYANILINE: METHOD FOR EMULSION POLYMERIZATION NESTE OY (FI) 1996-04-10 EP disclosed
WO-1994003528-A1 ELECTRICALLY CONDUCTING POLYANILINE: METHOD FOR EMULSION POLYMERIZATION NESTE OY (FI) 1994-02-17 WO disclosed