SCHEMBL8084229

SCHEMBL8084229

Cc1cccc(-c2nc3c(Cc4ccccc4)cc(OCC(C)N(C)C)cc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.40
▸ NR1I3 Q14994 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL8818678 0.85 DYRK3 (0.48) DHODHNR1I3PTGESNPC1RAB9A
SCHEMBL8819001 0.84 CHEK2 (0.44) DHODHNR1I3PTGESNPC1RAB9A
SCHEMBL8891323 0.83 DHODH (0.42) DHODHNR1I3PTGESNPC1RAB9A
SCHEMBL8818920 0.83 DHODH (0.42) DHODHNR1I3PTGESNPC1RAB9A
SCHEMBL8816926 0.81 ACHE (0.41) DHODHNR1I3PTGESNPC1RAB9A
SCHEMBL8082476 0.81 ACHE (0.49) DHODHNR1I3PTGESNPC1RAB9A
SCHEMBL8817561 0.80 PPARG (0.40) DHODHNR1I3PTGESNPC1RAB9A
SCHEMBL8818782 0.78 KDM4E (0.35) DHODHNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8814893 0.78 ACHE (0.51) DHODHPARP1
SCHEMBL8816605 0.78 ACHE (0.52) DHODHL3MBTL1KDM4EPARP1

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
JP-2000506529-A — — 2000-05-30 — — JP claimed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO claimed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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