SCHEMBL30701795

SCHEMBL30701795

c1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
MPI P34949 1/20 0.46
GPR84 Q9NQS5 7/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL22671108 1.00 CYP11B1 (0.46) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL13897346 1.00 CYP11B1 (0.46) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL21796046 0.98 CYP11B1 (0.45) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL9889179 0.98 CYP11B1 (0.45) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL22108198 0.98 CYP11B1 (0.45) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL14490038 0.98 CYP11B1 (0.45) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL9888971 0.98 CYP11B1 (0.45) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL23448078 0.96 CYP11B1 (0.47) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL22671674 0.96 CYP11B1 (0.47) CYP11B1ALDH1A1KDM4EMAPTMEN1
SCHEMBL12887948 0.96 CYP11B1 (0.49) CYP11B1ALDH1A1KDM4EMAPTMEN1

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
CN-116889122-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2023-10-13 CN disclosed