SCHEMBL9215380

SCHEMBL9215380

Cc1ccc([N+](=O)[O-])c(C(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CDC25B P30305 1/20 0.54
KDM4E B2RXH2 3/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 2/20 0.53
AKR1C3 P42330 1/20 0.51
HPSE Q9Y251 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 3/20 0.48
DTYMK P23919 1/20 0.48
KCNMA1 Q12791 1/20 0.47
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL28395903 0.87 TSHR (0.62) POLBTSHRCYP3A4ALDH1A1DTYMK
SCHEMBL149316 0.86 DTYMK (0.62) POLBMEN1KMT2AKDM4ETSHR
SCHEMBL29935450 0.86 DTYMK (0.62) POLBMEN1KMT2AKDM4ETSHR
SCHEMBL27480722 0.85 ALDH1A1 (0.56) POLBMEN1KMT2ATSHRCYP3A4
Phthalic Acid SCHEMBL10580388 0.85 TSHR (0.59) POLBMEN1KMT2ACDC25BKDM4E
SCHEMBL8446509 0.84 DTYMK (0.60) POLBMEN1KMT2AKDM4ETSHR
Hydrochloric Acid SCHEMBL3730916 0.84 DTYMK (0.60) POLBMEN1KMT2AKDM4ETSHR
SCHEMBL11048087 0.84 DTYMK (0.60) POLBMEN1KMT2AKDM4ETSHR
Potassium Ion SCHEMBL11048083 0.84 DTYMK (0.60) POLBMEN1KMT2AKDM4ETSHR
SCHEMBL5705801 0.82 TSHR (0.59) POLBMEN1KMT2ACDC25BKDM4E

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
EP-0569457-B1 USE OF THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- [2,3-A]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1995-06-14 EP disclosed