SCHEMBL4737597

SCHEMBL4737597

COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCSc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
KDM4E B2RXH2 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
LMNA P02545 1/20 0.58
MAPK10 P53779 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 2/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL4738643 0.92 ALDH1A1 (0.59) POLBKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4734498 0.85 LMNA (0.78) POLBKDM4ELMNAMAPK10NPC1
SCHEMBL4733317 0.85 ALDH1A1 (0.52) POLBKDM4ELMNAMAPK10NPC1
SCHEMBL4735007 0.84 POLB (0.63) POLBKDM4ELMNAMAPK10NPC1
SCHEMBL4733849 0.84 LMNA (0.60) POLBKDM4ELMNAMAPK10NPC1
SCHEMBL4738881 0.79 ALDH1A1 (0.48) POLBLMNAMAPK10NPC1RAB9A
SCHEMBL4737093 0.78 RAB9A (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4749629 0.78 NPC1 (0.61) POLBKDM4ELMNAMAPK10NPC1
SCHEMBL4749274 0.77 SMN1; SMN2 (0.56) LMNAMAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL4736542 0.77 SMN1; SMN2 (0.58) POLBLMNAMAPK10NPC1RAB9A

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
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO claimed
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed