SCHEMBL5536637

SCHEMBL5536637

O=c1c(=O)c2ccccc2c1=O.[Cd]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
CYP3A4 P08684 1/20 0.46
PGAM1 P18669 1/20 0.46
MAOA P21397 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
S100A4 P26447 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL30139899 1.00 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL6050558 0.96 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL17987 0.96 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL29362920 0.96 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL29662270 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL1512563 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4921603 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4930798 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL592692 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL28087086 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070251824-A1 Multiplexed analyte quantitation by two-dimensional planar electrochromatography PERKINELMER LAS, INC. (US) 2007-11-01 US disclosed
US-4965193-A Using beta-lactamase ring-containing substrate whose amide bond is hydrolyzed in the presence of beta-lactamase WASHINGTON RESEARCH FOUNDATION (US) 1990-10-23 US disclosed
WO-1989003889-A1 DETECTION OF MICROBIAL BETA-LACTAMASE WASHINGTON RESEARCH FOUNDATION (US) 1989-05-05 WO disclosed
US-4740459-A HYDROLYSIS OF BETALACTAM ANTIBIOTIC WASHINGTON RESEARCH FOUNDATION (US) 1988-04-26 US disclosed
US-4021418-A Method of removing formyl groups from N-formyl-amino acid and N-formyl-peptide esters AJINOMOTO CO., INC. (JA) 1977-05-03 US disclosed
US-4016258-A SYSTEMIC VASODILATION, HYPOTENSION RESEARCH CORPORATION 1977-04-05 US disclosed