SCHEMBL4849787

SCHEMBL4849787

COc1cc(C(=O)O)c(NC(=O)CCSc2ccccn2)c(C)c1OC

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 4/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 2/20 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
SCHEMBL4737093 0.92 RAB9A (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4733317 0.84 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4738643 0.83 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4737597 0.77 POLB (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4733201 0.76 SMN1; SMN2 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4737383 0.73 NPC1 (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4736542 0.71 SMN1; SMN2 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4734498 0.71 LMNA (0.78) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4737760 0.70 GRIK1 (0.57) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL4735004 0.70 NPC1 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD

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 1 patent. 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 disclosed