SCHEMBL9858688

SCHEMBL9858688

Clc1ccccc1Oc1ccnc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.43
▸ SLC6A2 P23975 5/20 0.42
▸ SLC6A4 P31645 4/20 0.42
▸ SLC6A3 Q01959 4/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ RHEB Q15382 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CXCL8 P10145 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
SCHEMBL7466638 0.80 NR4A2 (0.53) KDM4ESLC6A2SLC6A4SLC6A3NPC1
SCHEMBL11543918 0.77 SLC6A2 (0.47) KDM4ESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7458487 0.75 NR4A2 (0.41) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL2657071 0.74 NPC1 (0.50) SLC6A2SLC6A4SLC6A3HTR1ANPC1
SCHEMBL27449031 0.74 PTGS1 (0.49) SLC6A2SLC6A4SLC6A3HTR1ANPC1
SCHEMBL9858367 0.73 HCAR2 (0.45) HCAR2KDM4EHTTLMNASCN9A
SCHEMBL7464868 0.73 MAPT (0.54) NPC1GAAALDH1A1HPGDLMNA
SCHEMBL1436765 0.73 HPGD (0.59) SLC6A2SLC6A4SLC6A3HTR1AALDH1A1
SCHEMBL20554261 0.72 GAA (0.52) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL2323949 0.72 KDM4E (0.48) KDM4ESLC6A2HTR1ANPC1ALDH1A1

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
EP-0410762-A1 Naphthyridine derivatives DowElanco (US) 1991-01-30 — — EP disclosed
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