SCHEMBL6429467

SCHEMBL6429467

O=C(O)c1cscc1C(=O)Nc1c(F)cc(-c2ccccc2)c(F)c1F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.60
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.41
ACLY P53396 2/20 0.40
PTGER4 P35408 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL1123966 0.81 DHODH (0.72) DHODHMEN1KMT2ATP53HTT
SCHEMBL6430181 0.81 DHODH (0.61) DHODHMEN1KMT2ATP53HTT
SCHEMBL1124252 0.75 DHODH (1.00) DHODHMEN1KMT2AHTTMAPT
SCHEMBL6246502 0.71 DHODH (0.52) DHODHTP53
SCHEMBL518904 0.71 DHODH (0.71) DHODH
SCHEMBL1124246 0.71 DHODH (1.00) DHODHMEN1KMT2AMAPTNPC1
SCHEMBL517803 0.71 DHODH (0.74) DHODH
SCHEMBL6430362 0.71 DHODH (0.58) DHODHMEN1KMT2ATP53HTT
SCHEMBL15902456 0.70 DHODH (0.81) DHODHMEN1KMT2ATP53HTT
SCHEMBL1337628 0.70 AKR1C2 (0.55) DHODHMEN1KMT2ATP53HTT

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-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-09-28 EP disclosed
WO-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO disclosed