SCHEMBL5316680

SCHEMBL5316680

CCCc1nc2cc(C(=O)O)ccc2n1C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
IDH1 O75874 3/20 0.35
HTT P42858 1/20 0.35
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 3/20 0.33
HCAR3 P49019 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL182187 0.68 MAP4K4 (0.32) KMT2A
SCHEMBL8906502 0.67 HCAR3 (0.53) HSD17B10AGTR1AGTR2HCAR3HSP90AA1
SCHEMBL5316682 0.66 HSD17B10 (0.44) HSD17B10HTTAGTR1AGTR2SMN1; SMN2
SCHEMBL186575 0.66 NPC1 (0.41) RXRAL3MBTL1KMT2A
SCHEMBL136422 0.66 ALDH1A1 (0.46) HSD17B10L3MBTL1SMN1; SMN2KDM4EKMT2A
SCHEMBL16246829 0.65 L3MBTL1 (0.40) L3MBTL1
SCHEMBL4890597 0.64 MAP4K4 (0.36) SMN1; SMN2KDM4EKMT2A
SCHEMBL619635 0.64
SCHEMBL5004570 0.64 KDM4E (0.31) L3MBTL1KDM4EKMT2A
SCHEMBL8522823 0.63 RARG (0.37) HSD17B10RXRAL3MBTL1SMN1; SMN2KDM4E

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-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed