SCHEMBL9815076

SCHEMBL9815076

COc1c2ccccc2c(OC)c2c(NC(C)=O)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ IDO1 P14902 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PARP14 Q460N5 2/20 0.43
▸ MAOA P21397 1/20 0.42

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
SCHEMBL3781796 0.78 ALDH1A1 (0.57) KDM4ECYP1A2CYP2C9IDO1ALDH1A1
SCHEMBL8026593 0.76 KDM4E (0.51) KDM4ECYP1A2CYP2C9IDO1ALDH1A1
SCHEMBL8332038 0.76 KDM4E (0.63) KDM4ECYP1A2CYP2C9ALDH1A1MAPK1
SCHEMBL357522 0.74 KDM4E (0.69) KDM4ECYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL29514721 0.74 KDM4E (0.69) KDM4ECYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL14046286 0.73 ALDH1A1 (0.61) KDM4ECYP1A2CYP2C9IDO1ALDH1A1
SCHEMBL6774791 0.73 BRD4 (0.55) KDM4ECYP1A2CYP2C9IDO1ALDH1A1
SCHEMBL1900214 0.73 RXFP1 (0.66) KDM4EALDH1A1MAPK1HPGDMAPT
SCHEMBL9815084 0.73 KDM4E (0.59) KDM4ECYP1A2CYP2C9IDO1ALDH1A1
SCHEMBL8374069 0.72 KDM4E (0.46) KDM4ECYP1A2CYP2C9IDO1ALDH1A1

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
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 — — EP claimed
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 — — EP disclosed
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