SCHEMBL21376967

SCHEMBL21376967

Cc1ccc2[nH]c3cc4c(cc3c2c1)-c1ccccc1C4(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.45
NPC1 O15118 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
ACHE P22303 2/20 0.41
PGR P06401 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 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
SCHEMBL802649 0.91 KIF11 (0.47) KIF11NPC1KMT2AMEN1POLB
SCHEMBL802821 0.89 PGR (0.40) KIF11PGRPDK2KDM4EMAPT
SCHEMBL22106242 0.89 PDK2 (0.41) KIF11NPC1KMT2AMEN1POLB
SCHEMBL21973496 0.87 KIF11 (0.46) KIF11NPC1KMT2AMEN1POLB
SCHEMBL17280981 0.87 PGR (0.38) KIF11NPC1KMT2AMEN1PGR
SCHEMBL29506376 0.87 AHR (0.52) KIF11KMT2AMEN1PGRKDM4E
SCHEMBL31680 0.87 AHR (0.52) KIF11KMT2AMEN1PGRKDM4E
SCHEMBL19636068 0.85 KIF11 (0.45) KIF11NPC1KMT2AMEN1POLB
SCHEMBL14886313 0.84 PGR (0.36) KIF11KMT2AMEN1PGRKDM4E
SCHEMBL782563 0.84 CHUK (0.39) NPC1KMT2AMEN1PGRCCNB2

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
WO-2019174650-A1 COMPOUND HAVING BENZENE CORE, PREPARATION METHOD THEREFOR AND USES THEREOF ON ORGANIC ELECTROLUMINESCENT DEVICE 江苏三月光电科技有限公司 2019-09-19 WO disclosed