SCHEMBL8396869

SCHEMBL8396869

Cc1cc(-n2c(C)nc3ccccc32)ccc1-c1ccccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.60
▸ MAPK1 P28482 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ HSD17B10 Q99714 3/20 0.50
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL8394776 0.89 RECQL (0.58) RECQLMAPK1HTTHSD17B10POLB
SCHEMBL8391723 0.88 RECQL (0.57) RECQLMAPK1HTTHSD17B10KDM4E
SCHEMBL8391623 0.88 RECQL (0.64) RECQLMAPK1HSD17B10KDM4EALDH1A1
SCHEMBL3732608 0.87 MAPK1 (0.59) RECQLMAPK1HTTHSD17B10POLB
SCHEMBL8393411 0.87 RECQL (0.56) RECQLMAPK1HSD17B10POLBKDM4E
SCHEMBL8392464 0.86 RECQL (0.55) RECQLMAPK1HTTTSHRKDM4E
SCHEMBL8395931 0.86 RECQL (0.55) RECQLMAPK1HTTPOLBKDM4E
SCHEMBL8396019 0.86 RECQL (0.55) RECQLMAPK1HSD17B10POLBTSHR
SCHEMBL8392677 0.84 ESR2 (0.59) RECQLMAPK1HSD17B10POLBKDM4E
SCHEMBL8396962 0.84 PPARG (0.55) RECQLMAPK1HSD17B10POLBKDM4E

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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 — — US disclosed
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