SCHEMBL3922658

SCHEMBL3922658

NC(=O)c1ccc2c[c]ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
MGAM O43451 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PTPN1 P18031 1/20 0.37
CNR2 P34972 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
GRM2 Q14416 7/20 0.35
NNMT P40261 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LCK P06239 1/20 0.32

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
SCHEMBL15516376 0.86 PIM1 (0.41) PIM1MGAMALDH1A1GAAMAPT
SCHEMBL6231133 0.82 MGAM (0.38) MGAMALDH1A1GAAMAPTCNR2
SCHEMBL5873635 0.81 ALDH1A1 (0.61) ALDH1A1GAAMAPTHDAC8KDM4E
SCHEMBL530121 0.78 KMT2A (0.37) MGAMALDH1A1GAAMAPTCNR2
SCHEMBL28347669 0.78 MAPK1 (0.40) ALDH1A1GAAMAPTCNR2HDAC8
SCHEMBL5801074 0.75 CYP1A2 (0.39) ALDH1A1LMNANFKB1RAB9ANFKB2
SCHEMBL29540332 0.73 MGAM (0.68) PIM1MGAMALDH1A1GAAMAPT
SCHEMBL367913 0.73 MGAM (0.68) PIM1MGAMALDH1A1GAAMAPT
SCHEMBL5788456 0.72 MGAM (0.66) PIM1MGAMALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL3400880 0.72 MGAM (0.66) PIM1MGAMALDH1A1GAAMAPT

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-2009007396-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed