SCHEMBL15957754

SCHEMBL15957754

Cc1ccc(-n2c(C(C)C)nc3c(OC(C)C)c(O)ccc3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.37
ALDH1A1 P00352 4/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL12605756 0.92 ESR1 (0.51) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL10446289 0.90 ESR1 (0.41) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL15957763 0.86 RAB9A (0.41) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL15957771 0.84 RAB9A (0.45) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL15957768 0.82 RAB9A (0.45) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL15957767 0.82 RAB9A (0.45) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL15957761 0.82 TRPV1 (0.39) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL15957758 0.81 RAB9A (0.44) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL1664438 0.80 RAB9A (0.43) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL1663541 0.80 RAB9A (0.43) RAB9AESR1ESR2TRPV1SMN1; SMN2

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-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 US disclosed