SCHEMBL9833945

SCHEMBL9833945

CC(=O)C1(C)C(=O)Nc2cc3[nH]c(C(F)(F)F)nc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL9833577 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9834490 0.83 PDE3B (0.50) KDM4EHPGDMAPTPOLBSMN1; SMN2
SCHEMBL9835803 0.82 HSP90AA1 (0.40) KDM4EHPGDMAPTPOLBSMN1; SMN2
SCHEMBL9833692 0.81 FABP6 (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL9834744 0.79 KDM4E (0.43) KDM4EHPGDPOLBALDH1A1LMNA
SCHEMBL9833047 0.79 ALDH1A1 (0.42) KDM4EHPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL9833659 0.78 LMNA (0.46) KDM4ESMN1; SMN2LMNAPDE4APDE4B
SCHEMBL9834918 0.77 KMT2A (0.45) KDM4EPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL9835143 0.75 PDE4A (0.34) KDM4EMAPTPDE4APDE4BPDE4C
SCHEMBL10566074 0.75 PDE4A (0.43) KDM4EHPGDALDH1A1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed