SCHEMBL2185804

SCHEMBL2185804

O=C(Nc1cccc(C(F)(F)F)c1)c1ccsc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
P2RX1 P51575 2/20 0.59
RXFP1 Q9HBX9 8/20 0.58
PTGS1 P23219 1/20 0.57
MAPT P10636 3/20 0.57
DHODH Q02127 1/20 0.56
HTT P42858 2/20 0.55
SLC2A1 P11166 1/20 0.54
P2RX4 Q99571 1/20 0.54
P2RX7 Q99572 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNK3 O14649 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
OPRK1 P41145 1/20 0.53

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
SCHEMBL2211815 0.90 KMT2A (0.58) KMT2AMEN1RAB9ANPC1P2RX1
SCHEMBL28297049 0.83 RXFP1 (0.62) KMT2AMEN1RAB9AP2RX1RXFP1
SCHEMBL2186132 0.81 P2RX1 (0.55) KMT2AMEN1RAB9AP2RX1RXFP1
SCHEMBL2186276 0.80 DHODH (0.82) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL4147912 0.80 P2RX1 (0.56) KMT2AMEN1P2RX1RXFP1PTGS1
SCHEMBL7814990 0.80 P2RX1 (0.74) KMT2AMEN1RAB9AP2RX1RXFP1
SCHEMBL2186500 0.79 KMT2A (0.55) KMT2AMEN1RAB9ANPC1P2RX1
SCHEMBL29732982 0.76 RXFP1 (0.80) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL12443603 0.76 RXFP1 (0.80) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL8461120 0.75 MAPT (0.75) KMT2AMEN1RAB9ANPC1P2RX1

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