SCHEMBL14066166

SCHEMBL14066166

O=C(O)C1=C(C(=O)Nc2ccc3c(c2)S(=O)(=O)c2cc(NC(=O)C4=C(C(=O)O)CCC4)ccc2C3)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 12/20 0.55
▸ PARP1 P09874 1/20 0.50
▸ PARP15 Q460N3 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NR4A2 P43354 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL3925855 0.86 DHODH (0.55) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL4864881 0.75 MAOA (0.60) NPSR1NPC1RAB9A
SCHEMBL3924670 0.74 DHODH (0.63) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL3915670 0.73 DHODH (0.81) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL3914856 0.72 DHODH (0.69) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL30913585 0.72 DHODH (0.69) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL3914850 0.71 DHODH (0.64) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL3915266 0.71 DHODH (0.77) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL249112 0.71 DHODH (1.00) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL8762690 0.70 DHODH (0.76) DHODHPARP1PARP15PARP10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 — — US disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 — — US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 — — US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 — — US disclosed
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