SCHEMBL8816563

SCHEMBL8816563

Cc1cc(C)cc(-c2nc3c(Cc4ccccc4CBr)cc(O)cc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 16/20 0.40
▸ RPS6KA3 P51812 1/20 0.38
▸ MGAM O43451 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ SI P14410 3/20 0.38
▸ MGAM2 Q2M2H8 3/20 0.38
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL8818857 0.80 PTGES (0.44) DHODHRPS6KA3MGAMGAASI
SCHEMBL8818778 0.76 GAA (0.49) DHODHRPS6KA3MGAMGAASI
SCHEMBL8818927 0.75 MGAM (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL8814849 0.73 PARP1 (0.49) DHODHMGAMGAASIMGAM2
SCHEMBL8814846 0.71 MGAM (0.39) DHODHRPS6KA3MGAMGAASI
SCHEMBL8818537 0.70 RPS6KA3 (0.34) DHODHRPS6KA3PARP1
SCHEMBL8818638 0.69 PARP1 (0.45) DHODHMGAMGAASIMGAM2
SCHEMBL8814859 0.69 ACHE (0.47) DHODHRPS6KA3PARP1
SCHEMBL8075125 0.68 ACHE (0.45) DHODHRPS6KA3PARP1
Hydrochloric Acid SCHEMBL8816567 0.68 PARP1 (0.48) DHODHMGAMGAASIMGAM2

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 2 patents. 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
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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