SCHEMBL8523323

SCHEMBL8523323

COc1ccccc1-c1cnc(CCC(C)C)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
AAK1 Q2M2I8 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3042015 0.75 FAAH (0.45) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL17069014 0.74 CCNB2 (0.51) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL28063931 0.73 HSD17B10 (0.54) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL17283595 0.72 SCN2A (0.59) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL31147801 0.67 TAAR1 (0.60) IDO1ALDH1A1MAPTHPGDMPO
SCHEMBL7636733 0.67 TAAR1 (0.60) IDO1ALDH1A1MAPTHPGDMPO
SCHEMBL28309152 0.65 ALDH1A1 (0.53) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL20348822 0.65 PDE4D (0.45) IDO1KDM4EALDH1A1MAPTHPGD
1-Isopentoxy-2-Methoxybenzene SCHEMBL791645 0.63 HTT (0.60) IDO1ALDH1A1SMN1; SMN2
SCHEMBL8523321 0.63 IDO1 (0.44) IDO1GSK3BKMT2AKDM4EMEN1

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-0904274-A4 FARNESYL TRANSFERASE INHIBITORS BIOMEASURE INC (US) 1999-12-29 EP claimed
EP-0904274-A1 FARNESYL TRANSFERASE INHIBITORS Biomeasure Incorporated (US) 1999-03-31 EP claimed
WO-1997030053-A1 FARNESYL TRANSFERASE INHIBITORS BIOMEASURE INCORPORATED (US) 1997-08-21 WO claimed