SCHEMBL17254039

SCHEMBL17254039

CCc1cccc(Cl)c1COc1ccc(NC(=O)C2=C(C(=O)N=O)CCC2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.62
▸ RORC P51449 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ KDR P35968 5/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL17253572 0.90 DHODH (0.77) DHODHRORCNPC1RAB9ASMN1; SMN2
SCHEMBL247329 0.77 DHODH (1.00) DHODHNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL247030 0.72 DHODH (0.77) DHODHNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL248244 0.72 DHODH (0.71) DHODHMRGPRX4NPSR1EGFR
SCHEMBL290914 0.71 DHODH (0.89) DHODHNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL13743194 0.71 DHODH (0.54) DHODHRORCGRM4NPC1RAB9A
SCHEMBL247876 0.70 DHODH (0.65) DHODHGRM4MRGPRX4NPSR1LMNA
SCHEMBL18418380 0.70 DHODH (0.73) DHODHNPC1RAB9ANPSR1LMNA
SCHEMBL3918407 0.69 DHODH (0.71) DHODHNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL517712 0.66 DHODH (0.85) DHODHNPC1RAB9ASMN1; SMN2NPSR1

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
WO-2015169944-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PANOPTES PHARMA GES.M.B.H. (AT) 2015-11-12 — — WO disclosed
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