SCHEMBL8850940

SCHEMBL8850940

Nc1c2c(c(/C=C/c3ccccc3)c3ccccc13)CC=CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
CYP19A1 P11511 2/20 0.40
MAOA P21397 2/20 0.40
NFE2L2 Q16236 2/20 0.37
GRM4 Q14833 5/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL9971852 0.79 MAOB (0.52) MAOBCYP19A1MAOANFE2L2GRM4
SCHEMBL4304901 0.72 NFE2L2 (0.56) MAOBCYP19A1MAOANFE2L2MEN1
SCHEMBL30129708 0.72 NFE2L2 (0.56) MAOBCYP19A1MAOANFE2L2MEN1
SCHEMBL4304905 0.72 NFE2L2 (0.56) MAOBCYP19A1MAOANFE2L2MEN1
SCHEMBL4288335 0.70 NFE2L2 (0.54) MAOBCYP19A1MAOANFE2L2MEN1
SCHEMBL28604671 0.70 CYP19A1 (0.75) MAOBCYP19A1MAOANFE2L2GRM4
SCHEMBL9971876 0.67 NFE2L2 (0.47) MAOBCYP19A1MAOANFE2L2NPC1
SCHEMBL10950815 0.65 CYP19A1 (0.67) MAOBCYP19A1MAOANFE2L2CYP1B1
SCHEMBL10950803 0.65 CYP19A1 (0.67) MAOBCYP19A1MAOANFE2L2CYP1B1
SCHEMBL4152837 0.65 CYP19A1 (0.67) MAOBCYP19A1MAOANFE2L2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1775335-B1 Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2012-05-23 EP disclosed