SCHEMBL14390903

SCHEMBL14390903

COc1ccc(-c2cc(-c3cccs3)nc(OCc3ccc(C(=O)O)cc3)c2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TNFRSF1A P19438 2/20 0.46
▸ MAP4K4 O95819 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ PLA2G4B P0C869 1/20 0.43
▸ HDAC3 O15379 1/20 0.43

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
SCHEMBL3590231 0.88 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL3597920 0.80 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL14390908 0.80 HPGDS (0.39) POLBMAPTHPGDALDH1A1TNFRSF1A
SCHEMBL14390695 0.79 CSNK2A1 (0.43) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL14390899 0.77 ADORA2A (0.46) POLBMAPTHPGDALDH1A1L3MBTL1
SCHEMBL14391013 0.77 KDM4E (0.41) NPC1RAB9APOLBHPGDALDH1A1
SCHEMBL14390693 0.75 ACMSD (0.46) HPGD
SCHEMBL14391023 0.75 KDM4E (0.40) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL3584180 0.74 HPGDS (0.44) SMN1; SMN2MAPTHPGDALDH1A1TNFRSF1A
SCHEMBL3585765 0.74 HPGDS (0.42) SMN1; SMN2MAPTHPGDALDH1A1TNFRSF1A

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-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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