SCHEMBL11241454

SCHEMBL11241454

O=[N+]([O-])c1ccc(OCc2cccnc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.60
CYP11B1 P15538 5/20 0.60
CYP11B2 P19099 5/20 0.60
MAPT P10636 7/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MGMT P16455 1/20 0.47

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
SCHEMBL29151311 0.85 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL30354908 0.85 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL2191697 0.84 MAPT (0.65) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL29433280 0.84 MAPT (0.65) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL29151228 0.84 SMN1; SMN2 (0.65) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL30354847 0.84 SMN1; SMN2 (0.65) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL11249195 0.82 MAPT (0.49) CYP19A1MAPTRAB9ANPSR1SMN1; SMN2
SCHEMBL30638121 0.81 KMT2A (0.54) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL2702769 0.81 KMT2A (0.54) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL4029719 0.80 KMT2A (0.56) MAPTRAB9ANPSR1SMN1; SMN2KMT2A

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
CN-102766068-A Halogenated salicyloyl arylamine compounds as well as preparation method and application thereof ANHUI UNIVERSITY OF TRADITIONAL CHINESE MEDICINE 2012-11-07 CN disclosed
US-4332944-A Compositions and use ZOECON CORPORATION (US) 1982-06-01 US disclosed