SCHEMBL4014649

SCHEMBL4014649

[c]1cc2c(-c3ccccc3)c(-c3cc4ccccc4c4ccccc34)c(-c3cc4ccccc4c4ccccc34)cc2c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
ALOX5 P09917 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4002507 0.88 GPR84 (0.36) CYP11B1ALOX5GPR84ALDH1A1HIF1A
SCHEMBL4006977 0.85 ALDH1A1 (0.36) CYP11B1HPGDKDM4EGPR84ALDH1A1
SCHEMBL4008333 0.80 CYP1A2 (0.41) HPGDALDH1A1TSHRMAPK1CASP1
SCHEMBL3738239 0.76 HPGD (0.38) CYP11B1ALOX5MEN1KMT2AHPGD
SCHEMBL19181278 0.70 CYP11B1 (0.50) CYP11B1ALOX5ESR1ESR2MEN1
SCHEMBL4442152 0.70 ALDH1A1 (0.55) CYP11B1HPGDALDH1A1MAPTTSHR
SCHEMBL20774076 0.68 CYP11B1 (0.45) CYP11B1MEN1KMT2AHPGDKDM4E
SCHEMBL9957631 0.68 METAP2 (0.37) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL234963 0.67 HPRT1 (0.58) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL235409 0.67 HPRT1 (0.58) MEN1KMT2AHPGDLMNAALDH1A1

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
WO-2009082157-A2 ARYL AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2009-07-02 WO disclosed