SCHEMBL3414932

SCHEMBL3414932

CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.56
PARP1 P09874 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
KDR P35968 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
CASP6 P55212 1/20 0.54
PTPN11 Q06124 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MITF O75030 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL7372951 0.88 KMT2A (0.69) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL3378777 0.87 RAB9A (0.63) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL6580357 0.82 NPC1 (0.55) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL3381862 0.82 POLB (0.56) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL3377996 0.81 NPC1 (0.59) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL3377229 0.80 KCNMA1 (0.60) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL8337442 0.79 NPC1 (0.80) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL6580254 0.78 NR1H4 (0.53) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL6580027 0.78 F10 (0.66) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL6580151 0.78 NR1H4 (0.48) NPC1MEN1KMT2APOLBLMNA

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-2010002075-A1 METHODS FOR PREPARING AMIDE DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-01-07 WO disclosed
WO-2010002075-A1 METHODS FOR PREPARING AMIDE DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-01-07 WO disclosed