SCHEMBL6350388

SCHEMBL6350388

N[C@@H](Cc1ccc(Oc2ccc(O)cc2I)c(I)c1I)C(=O)O.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
BLM P54132 3/20 0.51
PPARG P37231 3/20 0.51
NR1I2 O75469 2/20 0.51
AGTR2 P50052 1/20 0.51
PCNA P12004 2/20 0.47
LMNA P02545 6/20 0.46
HSD17B10 Q99714 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
PMP22 Q01453 2/20 0.46
HTR1A P08908 2/20 0.46

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
SCHEMBL5574192 0.99 KMT2A (0.52) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL282065 0.99 KMT2A (0.52) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL230513 0.99 KMT2A (0.52) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL16390915 0.87 KMT2A (0.47) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL10537170 0.86 BLM (0.41) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL10495232 0.86 BLM (0.41) KMT2AMEN1BLMPPARGNR1I2
Hydrochloric Acid SCHEMBL10529768 0.85 BLM (0.41) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL4355962 0.84 KMT2A (0.61) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL10938099 0.84 KMT2A (0.61) KMT2AMEN1BLMPPARGNR1I2
SCHEMBL5583934 0.84 NR1I2 (0.36) KMT2AMEN1BLMPPARGNR1I2

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
CN-117821369-A Use of small molecules to enhance MAFA expression in pancreatic endocrine cells 詹森生物科技公司 2024-04-05 CN disclosed
US-20050221464-A1 Method for culturing hcv virus in vitro BIOMERIEUX (FR) 2005-10-06 US disclosed