SCHEMBL4540125

SCHEMBL4540125

COC(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.49
LMNA P02545 6/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 2/20 0.44
RORC P51449 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL4541432 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMAPK1POLB
SCHEMBL4542687 0.83 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1POLB
SCHEMBL15051234 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL15058197 0.80 MAPK1 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL4539851 0.79 MAPT (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2464904 0.79 TDP1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL3343914 0.79 MEN1 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL8072110 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL28999954 0.78 MAPT (0.46) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL29271622 0.78 SMN1; SMN2 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed