SCHEMBL7362370

SCHEMBL7362370

NN=C(Cl)c1cccnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
MAPT P10636 7/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 3/20 0.39
KLF5 Q13887 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7362367 1.00 IDO1 (0.41) IDO1MAPTRAB9ANPC1L3MBTL1
SCHEMBL25277063 0.81 MAPT (0.51) IDO1MAPTRAB9ANPC1L3MBTL1
SCHEMBL4906930 0.79 TDP1 (0.59) IDO1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL4906925 0.79 TDP1 (0.59) IDO1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL28417525 0.74 MAPT (0.51) IDO1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28458346 0.71 CYP2A6 (0.49) IDO1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL18448000 0.71 IDO1 (0.48) IDO1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28143021 0.70 ALDH1A1 (0.60) SMN1; SMN2TDP1LMNACA12CA1
SCHEMBL18448503 0.70 MAPT (0.49) IDO1MAPTRAB9ANPC1PKM
SCHEMBL9430137 0.69 MAPT (0.45) IDO1MAPTRAB9ANPC1L3MBTL1

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
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO disclosed