SCHEMBL9815084

SCHEMBL9815084

COc1c2ccccc2c(OC)c2cc(NC(C)=O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
IDO1 P14902 1/20 0.59
MTNR1A P48039 3/20 0.55
MTNR1B P49286 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.52
MAOA P21397 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
ESRRA P11474 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PABPC1 P11940 1/20 0.47
NAPRT Q6XQN6 1/20 0.47

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
SCHEMBL3776520 0.83 KMT2A (0.65) KDM4ECYP1A2MTNR1AMTNR1BKMT2A
SCHEMBL9815033 0.81 SMN1; SMN2 (0.46) KDM4ECYP1A2CYP2C9MTNR1AMTNR1B
SCHEMBL9815031 0.80 NPSR1 (0.59) KDM4ECYP1A2KMT2ANPSR1SMN1; SMN2
SCHEMBL9815046 0.79 NPC1 (0.49) KDM4EKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL9815068 0.77 NPC1 (0.59) MTNR1AMTNR1BLMNASMN1; SMN2NPC1
SCHEMBL19027464 0.75 RORC (0.54) MTNR1AMTNR1BKMT2ALMNANPSR1
SCHEMBL3952992 0.75 KMT2A (0.60) KDM4EMTNR1AMTNR1BKMT2ALMNA
SCHEMBL28124654 0.74 KDM4E (0.55) KDM4EMTNR1AMTNR1BKMT2ALMNA
SCHEMBL6746166 0.73 MAPT (0.62) KDM4ECYP1A2MTNR1AMTNR1BKMT2A
SCHEMBL609398 0.73 KIF11 (0.58) KDM4ECYP1A2CYP2C9IDO1LMNA

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