SCHEMBL9216133

SCHEMBL9216133

CC(=O)N(C)C1(c2ccc([N+](=O)[O-])cc2)SCCCS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL9204195 0.71 SMN1; SMN2 (0.47) MAPK1GAANPSR1MAPTHTR1E
SCHEMBL9678880 0.70 ALDH1A1 (0.40) MAPK1GAANPSR1MAPTHTR1E
SCHEMBL9216138 0.68 ALDH1A1 (0.43) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL12436884 0.68 HSD17B10 (0.47) MAPK1NPSR1MAPTHTR1ES1PR3
SCHEMBL22230818 0.68 NPSR1 (0.46) MAPK1GAANPSR1MAPTHTR1E
SCHEMBL6607473 0.65 NPSR1 (0.52) MAPK1NPSR1MAPTHTR1ES1PR3
SCHEMBL9208754 0.65 ALDH1A1 (0.49) MAPK1GAANPSR1MAPTHTR1E
SCHEMBL2103568 0.65 MAPK1 (0.55) MAPK1GAAMAPTMEN1KMT2A
Acetic Acid SCHEMBL27877969 0.64 MAPK1 (0.71) MAPK1MEN1KMT2ALMNATSHR
Acetic Acid SCHEMBL27904062 0.62 MAPK1 (0.68) MAPK1MEN1KMT2ALMNATSHR

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-1995004053-A1 UREA AND THIOUREA DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA S.P.A. (IT) 1995-02-09 WO disclosed