SCHEMBL7975847

SCHEMBL7975847

COc1cc(C(=O)N(C)c2ccccc2N2CCN(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
WDR5 P61964 6/20 0.45
BRPF1 P55201 1/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
CYP1A2 P05177 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41

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
SCHEMBL7423123 0.93 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2GAANPSR1
SCHEMBL7534271 0.92 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL7967859 0.90 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL7419832 0.87 WDR5 (0.43) ALDH1A1MAPTSMN1; SMN2GAANPSR1
SCHEMBL7422011 0.82 SIRT6 (0.54) ALDH1A1MAPTSMN1; SMN2GAANPSR1
SCHEMBL7426296 0.81 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2GAANPSR1
SCHEMBL7424257 0.80 KCNMA1 (0.46) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL7966612 0.80 MAPT (0.42) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL7480558 0.80 BRPF1 (0.44) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL7417316 0.80 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1

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-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed