SCHEMBL2186276

SCHEMBL2186276

O=C(Nc1ccccc1)c1ccsc1C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.82
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX12 P18054 1/20 0.53
HPGD P15428 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PRNP P04156 1/20 0.50
PPARG P37231 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL1810535 0.91 DHODH (1.00) DHODHALDH1A1HPGDMEN1KMT2A
SCHEMBL2186715 0.86 DHODH (0.63) DHODHALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL2185804 0.80 KMT2A (0.59) DHODHMEN1KMT2ATP53HTT
SCHEMBL11344615 0.79 NAMPT (0.68) DHODHALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL20963276 0.79 MEN1 (0.59) DHODHALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL1124226 0.78 DHODH (0.78) DHODHALDH1A1HPGDMEN1KMT2A
SCHEMBL19011349 0.77 DHODH (0.55) DHODHALDH1A1HPGDMEN1KMT2A
SCHEMBL31611995 0.76 DHODH (0.75) DHODHALDH1A1HPGDMEN1KMT2A
SCHEMBL1703428 0.76 DHODH (0.51) DHODHHPGDMEN1KMT2ALMNA
SCHEMBL1389175 0.76 PKM (0.74) ALDH1A1HPGDMEN1KMT2ALMNA

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
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP claimed
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP disclosed