SCHEMBL28020728

SCHEMBL28020728

O=COc1ncccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 2/20 0.40
MEN1 O00255 1/20 0.40
IDO1 P14902 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MMP2 P08253 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
COMT P21964 1/20 0.39
ADRA1A P35348 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALOX12 P18054 2/20 0.38

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
SCHEMBL10514419 0.76 ALDH1A1 (0.46) ERN1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL28032013 0.76 TRIM24 (0.42) NPC1RAB9AALDH1A1TRIM24TRIM33
SCHEMBL19083206 0.76 TRIM24 (0.34) KDM4ERAB9AHSP90AA1MEN1IDO1
SCHEMBL28806916 0.74 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1MMP2CHRM1
SCHEMBL1685043 0.72
SCHEMBL2304200 0.72 FTO (0.41) KDM4EL3MBTL1NPC1RAB9ANPSR1
SCHEMBL29016153 0.72 ALDH1A1 (0.39) ERN1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL14903435 0.72 ERN1 (0.36) ERN1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL14480040 0.72 NFE2L2 (0.44) ALDH1A1MAPTATM
SCHEMBL27859190 0.72 TRPV4 (0.38) L3MBTL1NPC1TDP1TRIM24TRIM33

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-102786550-B Iridium complex possessing open-type phosphorescent light emission, its preparation method and its application UNIV NANJING POSTS & TELECOMM 2015-05-20 CN disclosed
CN-102786550-A Iridium complex possessing open-type phosphorescent light emission, its preparation method and its application UNIV NANJING POSTS & TELECOMM 2012-11-21 CN disclosed