SCHEMBL6705776

SCHEMBL6705776

NCc1c(C/C=C/c2ccccc2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTR2A P28223 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NR1I2 O75469 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL6705777 1.00 KDM4E (0.46) KDM4EALDH1A1MAPTGAATAAR1
Hydrochloric Acid SCHEMBL5048653 0.80 ATM (0.44) KDM4EALDH1A1MAPTHTR2AKMT2A
SCHEMBL24074913 0.78 CYP1B1 (0.50) KDM4EALDH1A1MAPTHTR2AKMT2A
SCHEMBL23527384 0.77 CYP1A2 (0.60) KDM4EALDH1A1MAPTHTR2AKMT2A
SCHEMBL23527383 0.77 CYP1A2 (0.60) KDM4EALDH1A1MAPTHTR2AKMT2A
SCHEMBL332449 0.76 ALDH1A1 (0.62) KDM4EALDH1A1MAPTGAATAAR1
SCHEMBL24074914 0.75 KMT2A (0.61) KDM4EALDH1A1MAPTGAATAAR1
SCHEMBL3128231 0.74 NFE2L2 (0.43) KDM4EALDH1A1MAPTTAAR1HTR2A
SCHEMBL3128239 0.74 NFE2L2 (0.43) KDM4EALDH1A1MAPTTAAR1HTR2A
SCHEMBL23527402 0.74 HTR2A (0.47) KDM4EALDH1A1MAPTHTR2AKMT2A

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-2004108114-A2 ANTI-FUNGAL COMPOSITION AND A PROCESS FOR ITS MANUFACTURE PATEL DINESH SHANTILAL (IN) 2004-12-16 WO disclosed