SCHEMBL8980474

SCHEMBL8980474

CC(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.72
HPGD P15428 9/20 0.72
KDM4E B2RXH2 8/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MAPT P10636 6/20 0.65
LMNA P02545 4/20 0.65
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
THRB P10828 2/20 0.62
MAPK1 P28482 1/20 0.61
PDE10A Q9Y233 1/20 0.58
ESR1 P03372 1/20 0.58
AHR P35869 1/20 0.56
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51

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
SCHEMBL8980242 0.87 PDE10A (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL8980312 0.86 ALDH1A1 (0.72) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL25910919 0.84 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL8980346 0.84 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL6295964 0.81 ALDH1A1 (0.81) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL22552141 0.79 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL29902925 0.79 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL29902955 0.78 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL22552111 0.78 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL22552093 0.76 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT

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
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed