SCHEMBL25909664

SCHEMBL25909664

O=C(O)C1=C(C(=O)Nc2cc(Cl)c(CCc3c(F)cccc3Cl)c(Cl)c2)CCC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 14/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.60
▸ PARP1 P09874 1/20 0.48
▸ PARP15 Q460N3 1/20 0.48
▸ PARP10 Q53GL7 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ NR4A2 P43354 1/20 0.43

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
SCHEMBL517712 0.85 DHODH (0.85) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL247329 0.82 DHODH (1.00) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL248176 0.81 DHODH (1.00) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL290914 0.80 DHODH (0.89) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL3915847 0.80 DHODH (0.78) DHODHNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL18418380 0.79 DHODH (0.73) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL13743397 0.78 DHODH (0.91) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL3914512 0.76 DHODH (0.89) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL3918407 0.73 DHODH (0.71) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL246084 0.73 DHODH (0.71) 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-3139914-B1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS KIORA PHARMACEUTICALS GMBH (DE) 2023-07-26 — — EP disclosed
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