SCHEMBL8684452

SCHEMBL8684452

Cc1cc(C)nc(-c2cc[c]c(O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALOX15 P16050 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 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
SCHEMBL9958727 0.74 LMNA (0.47) LMNANPC1RAB9AGAASMN1; SMN2
SCHEMBL7762847 0.72
SCHEMBL10914703 0.70 MEN1 (0.53) LMNANPC1RAB9AGAASMN1; SMN2
SCHEMBL27618779 0.69 ENPP3 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9920494 0.67 LMNA (0.53) LMNANPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL10865088 0.67 ALOX15 (0.57) LMNANPC1RAB9AGAASMN1; SMN2
SCHEMBL136499 0.66
SCHEMBL28659405 0.66 HDAC4 (0.47)
SCHEMBL8102074 0.66 ESR1 (0.50) KMT2AMEN1CYP2C9
SCHEMBL3990520 0.66 ALOX5 (0.46) LMNAGAAHSD17B10ALDH1A1HSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP claimed
US-5716974-A TREATING FUNGAL PLANT DISEASES ISAGRO S.P.A. (IT) 1998-02-10 US disclosed
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP disclosed