SCHEMBL8817544

SCHEMBL8817544

Cc1ccc(-c2nc3c(-c4ccccc4)cc(O)cc3[nH]2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 7/20 0.50
▸ GAA P10253 7/20 0.50
▸ SI P14410 7/20 0.50
▸ MGAM2 Q2M2H8 7/20 0.50
▸ RPS6KA3 P51812 1/20 0.48
▸ DHODH Q02127 7/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL8818550 0.85 MGAM (0.51) MGAMGAASIMGAM2RPS6KA3
SCHEMBL8816735 0.82 TP53 (0.49) MGAMGAASIMGAM2RPS6KA3
SCHEMBL8814846 0.73 MGAM (0.39) MGAMGAASIMGAM2RPS6KA3
SCHEMBL8816985 0.72 ACHE (0.52) DHODH
SCHEMBL8891044 0.71 MGAM (0.68) MGAMGAASIMGAM2DHODH
SCHEMBL9259477 0.71 MAPT (0.54) GAACYP1A2CYP2C19KDM4ENPC1
SCHEMBL8818574 0.70 GAA (0.64) MGAMGAASIMGAM2DHODH
SCHEMBL8817536 0.69 NR1I3 (0.58) MGAMGAASIMGAM2RPS6KA3
SCHEMBL8817053 0.69 DHODH (0.65) MGAMGAASIMGAM2RPS6KA3
SCHEMBL4457030 0.68 DHODH (0.53) MGAMGAASIMGAM2DHODH

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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