SCHEMBL6490110

SCHEMBL6490110

Cc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
NPC1 O15118 8/20 0.70
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
NR1H4 Q96RI1 1/20 0.56
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1835286 0.77 NPC1 (0.59) RAB9ANPC1MAPT
SCHEMBL6495701 0.77 NR1H4 (0.63) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL14740084 0.76 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL27467205 0.74 NR1H4 (0.63) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL2249542 0.72 SMN1; SMN2 (0.60) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL6267898 0.72 MAPT (0.63) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL29923752 0.72 TSHR (0.64) RAB9AMAPTSMN1; SMN2HPGDLMNA
SCHEMBL359844 0.72 TSHR (0.64) RAB9AMAPTSMN1; SMN2HPGDLMNA
SCHEMBL11293963 0.72 MAPT (0.60) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL5569675 0.71 MAPT (0.57) RAB9ANPC1MAPTSMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 WO disclosed