SCHEMBL28027772

SCHEMBL28027772

CN(C)c1ccc(C(=C(c2ccccc2)c2ccc(CO)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
HPGD P15428 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 7/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 5/20 0.47
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SNCA P37840 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KCNK3 O14649 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL24851242 0.87 RAB9A (0.69) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL24854680 0.84 TSHR (0.62) TSHRTDP1SNCALMNA
SCHEMBL28849773 0.84 TSHR (0.62) TSHRTDP1SNCALMNA
SCHEMBL24854649 0.84 TSHR (0.62) TSHRTDP1SNCALMNA
SCHEMBL28027771 0.83 CNR2 (0.53) RAB9AKMT2AMEN1NPC1TSHR
SCHEMBL165131 0.82 ALDH1A1 (0.64) HPGDNPC1ALDH1A1MAPTTSHR
SCHEMBL2326261 0.78 ALDH1A1 (0.65) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL31069750 0.78 HPGD (0.58) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL31069749 0.78 HPGD (0.58) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL30510208 0.77 ESR1 (0.53) RAB9AKMT2AMEN1MAPTTSHR

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-104877665-B Luminescent material having aggregation-induced emission, method of making and application thereof 香港科技大学深圳研究院 2017-01-11 CN disclosed
CN-104877665-A Luminescent material having aggregation-induced emission, method of making and application thereof UNIV HONG KONG SCIENCE & TECHN 2015-09-02 CN disclosed