SCHEMBL5155482

SCHEMBL5155482

COC(=O)c1ccc(CC(NC(=O)OC(C)(C)C)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 1/20 0.46
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
CYP3A4 P08684 5/20 0.44
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5230808 0.90 ADRB1 (0.52) NAMPTALDH1A1LMNAPKMHPGD
SCHEMBL5154307 0.88 ALDH1A1 (0.46) NAMPTALDH1A1LMNAPKMHPGD
SCHEMBL14588990 0.87 ATM (0.52) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL5151480 0.85 ATM (0.46) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL5148883 0.83 ALDH1A1 (0.45) NAMPTALDH1A1LMNAPKMHPGD
SCHEMBL6630454 0.81 ATM (0.46) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL5232170 0.81 ATM (0.46) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL14923471 0.81 RAB9A (0.45) NAMPTRAB9ACYP3A4
SCHEMBL14931099 0.81 RAB9A (0.47) NAMPTALDH1A1RAB9ACYP3A4
SCHEMBL4603000 0.81 RAB9A (0.47) NAMPTALDH1A1RAB9ACYP3A4

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
CN-1297546-C N- (arylsulfonyl) -beta-amino acid derivatives with substituted aminomethyl group, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-31 CN disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
CN-1541211-A Derivatives of N-(arylsulfonyl) beta-aminoacids comprising substituted aminomethyl group, prepn. method thereof and pharmaceutical compsns. contg same ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-10-27 CN disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US disclosed