SCHEMBL8684332

SCHEMBL8684332

Cc1ccccc1-c1c[c]no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.42
RAB9A P51151 10/20 0.42
SMN1; SMN2 Q16637 10/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP2C19 P33261 2/20 0.39
NFKB2 Q00653 2/20 0.39
KMT2A Q03164 2/20 0.39
RELA Q04206 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL69494 0.77 RAB9A (0.45) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL3683732 0.77 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL5965141 0.77 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL2821900 0.77 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL7038858 0.77 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL3683695 0.73 NOTUM (0.42) SMN1; SMN2HPGDMAPTALDH1A1GAA
SCHEMBL70373 0.71 RAB9A (0.42) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL5965271 0.68 RAB9A (0.39) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL12681544 0.68 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL5924939 0.68 NPC1 (0.41) NPC1RAB9ASMN1; SMN2CASP3SENP8

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 4 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
US-5594020-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP disclosed