SCHEMBL6821999

SCHEMBL6821999

CC(=O)OCCCCSc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)OC(=O)c2cc(C#N)ccc2NC(=O)c2cc(-c3ccccc3F)on2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCD5 Q86SK9 2/20 0.36
CXCR2 P25025 7/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCR1 P25024 4/20 0.33
CYP3A4 P08684 2/20 0.33
SCD O00767 2/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA5 P31644 1/20 0.32

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
SCHEMBL6821996 0.94 ALB (0.58) ALBKDM4EHTTMEN1KMT2A
SCHEMBL6830362 0.80 ALB (0.76) ALBKDM4EHTTMEN1KMT2A
SCHEMBL6835622 0.78 ALB (0.55) ALBMEN1KMT2AALDH1A1RAB9A
SCHEMBL6833997 0.73 ALB (0.58) ALBKDM4EHTTMEN1KMT2A
SCHEMBL6835618 0.73 ALB (0.62) ALBMEN1KMT2ARAB9ASCD
SCHEMBL6830647 0.72 KMT2A (0.49) ALBKDM4EMEN1KMT2AALDH1A1
SCHEMBL6833946 0.69 ALB (0.76) ALBKDM4EHTTMEN1KMT2A
SCHEMBL6833308 0.69 ALB (0.75) ALBKDM4EHTTMEN1KMT2A
SCHEMBL6833865 0.69 ALB (0.75) ALBKDM4EHTTMEN1KMT2A
SCHEMBL6830644 0.69 ALB (0.77) ALBKDM4EHTTMEN1KMT2A

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed