SCHEMBL27460853

SCHEMBL27460853

O=C(NC(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CA2 P00918 2/20 0.59
▸ CTSL P07711 1/20 0.54
▸ CA1 P00915 1/20 0.52
▸ BACE1 P56817 2/20 0.51
▸ MAPT P10636 2/20 0.48
▸ P4HB P07237 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ GRIA1 P42261 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ MITF O75030 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
SCHEMBL1351202 0.85 CTSL (0.56) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL27679115 0.85 CA2 (0.65) NPC1RAB9ASMN1; SMN2TP53CA2
4-Nitroaniline SCHEMBL28329098 0.85 CA2 (0.65) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL4364568 0.85 CA2 (0.65) NPC1RAB9ASMN1; SMN2TP53CA2
4-Nitroaniline SCHEMBL10589515 0.85 CA2 (0.65) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL4359066 0.83 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL7442005 0.83 CA2 (0.74) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL7442014 0.83 CA2 (0.74) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL4356215 0.82 RAB9A (0.58) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL6807421 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1158551-A Biological control of insects UNIV TROBE (AU) 1997-09-03 — — CN disclosed
Send feedback