SCHEMBL14257590

SCHEMBL14257590

C=C(Cc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
FFAR1 O14842 1/20 0.46
SRD5A2 P31213 1/20 0.44
NR4A2 P43354 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.43
TNKS O95271 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
TLR4 O00206 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
SCHEMBL30209490 0.85 MEN1 (0.54) SMN1; SMN2NPC1MAOBRAB9A
SCHEMBL28544613 0.85 MEN1 (0.54) SMN1; SMN2NPC1MAOBRAB9A
SCHEMBL28548544 0.84 SRD5A2 (0.56) ERCC5FEN1FFAR1SRD5A2SMN1; SMN2
SCHEMBL11594843 0.81 AKR1C3 (0.56) AKR1C3ERCC5FEN1HDAC8ALDH1A1
SCHEMBL4708458 0.80 ERCC5 (0.65) AKR1C3ERCC5FEN1HDAC8FFAR1
SCHEMBL10266416 0.79 AKR1C3 (0.61) AKR1C3ERCC5FEN1HDAC8ALDH1A1
SCHEMBL11639201 0.78 ERCC5 (0.62) AKR1C3ERCC5FEN1HDAC8FFAR1
SCHEMBL163962 0.78 MAOA (0.50) HDAC8MAOB
SCHEMBL11361846 0.78 AKR1C3 (0.51) AKR1C3ERCC5FEN1HDAC8FFAR1
SCHEMBL38664634 0.77 KMO (0.48) ERCC5FEN1HDAC8NR4A2LMNA

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-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP disclosed