SCHEMBL13743397

SCHEMBL13743397

Bc1cc(NC(=O)C2=C(C(=O)O)CCC2)cc(Br)c1OCc1c(F)cccc1Cl

nearest known ligand 0.91

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 14/20 0.91
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP15 Q460N3 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL248176 0.95 DHODH (1.00) DHODHNPSR1NR4A1NR4A2PARP1
SCHEMBL3914512 0.90 DHODH (0.89) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL517712 0.88 DHODH (0.85) DHODHNPSR1NR4A1NR4A2PARP1
SCHEMBL253516 0.83 DHODH (1.00) DHODHNPSR1NR4A2SGMS2RAB9A
SCHEMBL3924492 0.81 DHODH (0.74) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL247329 0.81 DHODH (1.00) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL290914 0.81 DHODH (0.89) DHODHNPSR1NR4A1NR4A2PARP1
SCHEMBL3915847 0.81 DHODH (0.78) DHODHNPSR1NR4A1NR4A2NPC1
SCHEMBL18418380 0.81 DHODH (0.73) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL3926083 0.79 DHODH (0.78) DHODHNPSR1PARP1PARP15PARP10

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-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 — — EP disclosed
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