SCHEMBL30858723

SCHEMBL30858723

Cc1ccc2c(c1)c(=O)c1cc(C)ccc1n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
APAF1 O14727 1/20 0.49
PKM P14618 1/20 0.49
IDO1 P14902 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MCL1 Q07820 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NR1I2 O75469 1/20 0.46
AHR P35869 1/20 0.46
ATM Q13315 1/20 0.44
NPC1 O15118 2/20 0.44
NTRK1 P04629 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
SCHEMBL26506582 1.00 KDM4E (0.51) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL13412890 0.96 KDM4E (0.49) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL2756511 0.92 ATM (0.51) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL12692761 0.91 ATM (0.58) KDM4EMAPTRAB9AHTTKMT2A
SCHEMBL13412881 0.88 KDM4E (0.54) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL13914147 0.86 ATM (0.58) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL12692736 0.86 ALDH1A1 (0.57) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL793546 0.86 BCHE (0.56) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL25520016 0.83 PIK3CG (0.42) KDM4EMAPTRAB9AAPAF1PKM
SCHEMBL25752526 0.83 ATM (0.50) KDM4EMAPTRAB9AAPAF1PKM

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-117756603-A Method for preparing cyclohexanol by photocatalysis cyclohexene hydration reaction 浙江大学 2024-03-26 CN disclosed