SCHEMBL8891323

SCHEMBL8891323

Cc1cccc(-c2nc3c(Cc4ccccc4)cc(OCCCl)cc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.42
▸ MGAM O43451 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SI P14410 2/20 0.41
▸ MGAM2 Q2M2H8 2/20 0.41
▸ NR1I3 Q14994 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP8 P22894 2/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL8818920 0.96 DHODH (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL8818678 0.88 DYRK3 (0.48) DHODHMGAMGAASIMGAM2
SCHEMBL8819001 0.87 CHEK2 (0.44) DHODHMGAMGAASIMGAM2
SCHEMBL8816926 0.87 ACHE (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL8082476 0.87 ACHE (0.49) DHODHMGAMGAASIMGAM2
SCHEMBL8817561 0.85 PPARG (0.40) DHODHMGAMGAASIMGAM2
SCHEMBL8814893 0.85 ACHE (0.51) DHODH
SCHEMBL8816605 0.84 ACHE (0.52) DHODHL3MBTL1KDM4E
SCHEMBL8817571 0.84 ACHE (0.52) DHODHL3MBTL1KDM4E
SCHEMBL8818817 0.83 ACHE (0.53) DHODHNPC1RAB9A

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-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
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