SCHEMBL4733405

SCHEMBL4733405

O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)cc1C1=NCCO1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
RGS12 O14924 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4734577 0.92 ALDH1A1 (0.45) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL4733962 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL4749678 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL4737140 0.76 MEN1 (0.64) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL4737108 0.73 POLB (0.59) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL4738815 0.73 NPC1 (0.48) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4737908 0.72 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4736783 0.72 GRIK1 (0.60) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL1878977 0.70 KMT2A (0.41) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL4734801 0.69 KMT2A (0.57) ALDH1A1LMNAMAPTKMT2AMEN1

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