SCHEMBL6923317

SCHEMBL6923317

Nn1c(C2CCCCC2)cc(-c2ccccc2)cc1=O.O=c1cc(-c2ccccc2)cc(C2CCCCC2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
CYP1B1 Q16678 1/20 0.36
ATM Q13315 1/20 0.35
MAT2A P31153 2/20 0.32
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
STS P08842 3/20 0.31
NR1I2 O75469 1/20 0.31
KDM4B O94953 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
DOHH Q9BU89 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL6920288 0.88 L3MBTL1 (0.53) L3MBTL1ATMMAT2AKDM4ENR1I2
SCHEMBL6923871 0.86 L3MBTL1 (0.54) L3MBTL1ATMMAT2ANR1I2KDM4B
SCHEMBL18696087 0.85 CYP1B1 (0.46) L3MBTL1CYP1B1ADCY8ADCY1KDM4E
SCHEMBL6827239 0.83 CYP1B1 (0.43) L3MBTL1CYP1B1ADCY8ADCY1KDM4E
SCHEMBL6924508 0.81 L3MBTL1 (0.57) L3MBTL1ATMGLO1
SCHEMBL6827164 0.78 NPC1 (0.41) CYP1B1MAPT
SCHEMBL6824851 0.78 CYP1B1 (0.40) L3MBTL1CYP1B1ADCY8ADCY1KDM4E
SCHEMBL6922985 0.77 L3MBTL1 (0.50) L3MBTL1KMT2APOLBGLO1
SCHEMBL6827416 0.74 KMO (0.40) L3MBTL1KMT2ANR1I2KDM4BCHRM1
SCHEMBL6827991 0.74 KMO (0.50) L3MBTL1ADCY8ADCY1ALDH1A1KMT2A

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
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed