SCHEMBL28019409

SCHEMBL28019409

CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
TSHR P16473 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KIF11 P52732 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL31092495 0.90 DNM1 (0.40) MAPTTP53ALDH1A1LMNAKDM4E
SCHEMBL19075295 0.89 DNM1 (0.44) MAPTTP53PGRRORARORC
SCHEMBL29009241 0.89 PGR (0.42) MAPTPGRRORARORCRORB
SCHEMBL30434963 0.89 PGR (0.42) MAPTPGRRORARORCRORB
SCHEMBL26083867 0.87 L3MBTL1 (0.42) MAPTTP53PGRRORARORC
SCHEMBL12514193 0.85 PIK3R1 (0.41) MAPTTSHRHPGDHTTHSD17B10
SCHEMBL13368077 0.82 KDM4E (0.50) MAPTTP53PGRRORARORC
SCHEMBL10067484 0.81 MAPT (0.40) MAPTTP53PGRRORARORC
SCHEMBL24797393 0.79 ALDH1A1 (0.47) MAPTPGRRORARORCRORB
SCHEMBL782332 0.79 MAPT (0.43) MAPTTSHRALDH1A1HPGDHTT

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
CN-104844661-B Application of the Donor acceptor to build Cyclometalated platinum complexes liquid crystal luminescent material and its in polymer polorised electroluminescence device 湘潭大学 2017-07-11 CN disclosed
CN-104844661-A Donor-acceptor-donor type cyclometalated platinum complex liquid crystal luminescent material and application thereof in polymer polarized electroluminescent device UNIV XIANGTAN 2015-08-19 CN disclosed