SCHEMBL28951002

SCHEMBL28951002

O=[N+]([O-])c1cccc(-c2cccc3c2[nH]c2ccccc23)c1.OBO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.62
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HDAC1 Q13547 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
GUSB P08236 1/20 0.44
WEE1 P30291 1/20 0.44

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
SCHEMBL31456152 0.81 IDO1 (0.64) IDO1POLBCCNB2CDK1CCNB1
SCHEMBL28060912 0.81 IDO1 (0.64) IDO1POLBCCNB2CDK1CCNB1
SCHEMBL17893694 0.79 CDK4 (0.54) CCNB2CDK1CCNB1CDK2CCNB3
SCHEMBL28951037 0.79 KMT2A (0.53) IDO1KMT2AMGAMPARP1
SCHEMBL187300 0.78 KIF11 (0.53) IDO1CCNB2CDK1CCNB1CDK2
SCHEMBL29394785 0.78 KIF11 (0.53) IDO1CCNB2CDK1CCNB1CDK2
SCHEMBL30950767 0.76 KIF11 (0.52) IDO1CCNB2CDK1CCNB1CDK2
SCHEMBL867558 0.76 KIF11 (0.52) IDO1CCNB2CDK1CCNB1CDK2
SCHEMBL28173807 0.75 IDO1 (0.52) IDO1MEN1KMT2ANPC1CCNB2
SCHEMBL29470863 0.75 KIF11 (0.50) IDO1CCNB2CDK1CCNB1CDK2

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-115700245-A Triarylamine organic compound for organic electroluminescent device and organic electroluminescent device 北京鼎材科技有限公司 2023-02-07 CN disclosed