SCHEMBL9523595

SCHEMBL9523595

CC(C)On1nnc2ccc(C(O)c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
PPARG P37231 1/20 0.34
ATM Q13315 3/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APAF1 O14727 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33

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
SCHEMBL9527242 0.86 HDAC3 (0.37) LMNATSHRHTTPPARGATM
SCHEMBL9523464 0.83 SMN1; SMN2 (0.43) LMNATSHRHTTPPARGMAPK1
SCHEMBL9524856 0.81 PPARG (0.39) LMNATSHRHTTPPARGNPSR1
SCHEMBL9525930 0.79 MGAM (0.38) LMNATSHRPPARGNPSR1SMN1; SMN2
SCHEMBL9525014 0.79 KEAP1 (0.50) LMNATSHRATMPOLBMAPK1
SCHEMBL9523778 0.79 POLB (0.53) LMNATSHRPPARGATMPOLB
SCHEMBL9612373 0.75 TSHR (0.53) TSHRHTTATMPOLBMAPK1
SCHEMBL9524664 0.73 KEAP1 (0.52) POLBSMN1; SMN2
SCHEMBL22898717 0.73 KMT2A (0.43) TSHRPOLBHDAC3HDAC4HDAC1
SCHEMBL18924514 0.70 HDAC3 (0.41) TSHRATMPOLBMAPK1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed