SCHEMBL9722705

SCHEMBL9722705

O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.71
NPC1 O15118 7/20 0.71
HPGD P15428 4/20 0.71
TP53 P04637 4/20 0.71
PKM P14618 3/20 0.71
MITF O75030 1/20 0.71
XBP1 P17861 1/20 0.71
SMN1; SMN2 Q16637 7/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 7/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.55
MAPK1 P28482 3/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HTT P42858 2/20 0.54
FAAH O00519 2/20 0.53

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
SCHEMBL27374898 0.83 NPC1 (1.00) RAB9ANPC1HPGDTP53PKM
SCHEMBL9722680 0.76 RAB9A (0.77) RAB9ANPC1HPGDTP53PKM
SCHEMBL3151215 0.75 KCNMA1 (0.67) RAB9ANPC1HPGDTP53SMN1; SMN2
SCHEMBL9722784 0.75 KDM4E (0.64) RAB9ANPC1HPGDTP53SMN1; SMN2
SCHEMBL1332207 0.75 KDM4E (0.64) RAB9ANPC1HPGDTP53SMN1; SMN2
SCHEMBL6327826 0.75 ALDH1A1 (0.71) RAB9ANPC1HPGDTP53SMN1; SMN2
SCHEMBL9722697 0.75 NPC1 (0.67) RAB9ANPC1HPGDTP53PKM
SCHEMBL11340702 0.75 MAPT (0.70) RAB9ANPC1HPGDTP53SMN1; SMN2
SCHEMBL11340700 0.75 MAPT (0.70) RAB9ANPC1HPGDTP53SMN1; SMN2
SCHEMBL9722691 0.74 NPC1 (0.80) RAB9ANPC1HPGDTP53PKM

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
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US claimed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed