SCHEMBL6531687

SCHEMBL6531687

CCCCCc1c([C]=O)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ HPGD P15428 4/20 0.56
▸ GAA P10253 1/20 0.56
▸ CTSV O60911 2/20 0.50
▸ CTSL P07711 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ OXER1 Q8TDS5 1/20 0.42

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
SCHEMBL6533131 0.95 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL6531808 0.89 RAB9A (0.54) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9285803 0.86 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL6532758 0.82 HTT (0.51) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL4921978 0.79 KDM4E (0.70) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL8440798 0.78 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL8445695 0.78 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL8445875 0.78 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL8442541 0.78 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL8444672 0.78 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDGAA

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-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 — — WO disclosed
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