SCHEMBL14101808

SCHEMBL14101808

CCc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)O)c(=O)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.56
MAPT P10636 7/20 0.56
HTT P42858 2/20 0.56
HTR6 P50406 1/20 0.56
LMNA P02545 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4720719 0.91 NPSR1 (0.69) NPSR1MAPTHTTHTR6LMNA
SCHEMBL14101812 0.89 MAPT (0.56) NPSR1MAPTHTTHTR6LMNA
SCHEMBL14102063 0.84 MAPT (0.55) NPSR1MAPTHTTHTR6LMNA
SCHEMBL4722478 0.83 MAPT (0.66) NPSR1MAPTHTTHTR6LMNA
SCHEMBL14101749 0.83 MAPT (0.69) NPSR1MAPTHTTHTR6LMNA
SCHEMBL4721334 0.81 MAPT (0.80) NPSR1MAPTHTTHTR6LMNA
SCHEMBL4723810 0.81 MAPT (0.68) NPSR1MAPTHTTHTR6LMNA
SCHEMBL14101927 0.81 MAPT (0.54) NPSR1MAPTHTTHTR6LMNA
SCHEMBL4722690 0.81 MAPT (0.61) NPSR1MAPTHTTHTR6LMNA
SCHEMBL4723916 0.80 MAPT (0.68) NPSR1MAPTHTTHTR6LMNA

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed