SCHEMBL27656580

SCHEMBL27656580

O=C(Nc1ccc2c(c1)CCC2)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.61
▸ RAB9A P51151 8/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ POLB P06746 2/20 0.61
▸ MAPT P10636 5/20 0.60
▸ PKM P14618 3/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ F10 P00742 1/20 0.59
▸ PLAU P00749 1/20 0.59
▸ PLAT P00750 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ P2RX1 P51575 3/20 0.57
▸ TMPRSS4 Q9NRS4 1/20 0.57
▸ LY96 Q9Y6Y9 1/20 0.54
▸ HTT P42858 5/20 0.52
▸ TP53 P04637 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52

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
SCHEMBL7760831 0.87 NPC1 (0.64) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7762511 0.87 NPC1 (0.64) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7760840 0.80 NPC1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7762519 0.80 NPC1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL17699318 0.78 KMT2A (0.74) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2061203 0.78 P2RX1 (0.71) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL17699316 0.78 KMT2A (0.72) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27676822 0.76 MAPT (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL27633301 0.76 KMT2A (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27676552 0.76 P2RX1 (0.63) NPC1RAB9AMEN1KMT2AMAPT

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-1944398-A New benzoyl amide compounds and its preparing method and medicine use INST OF MEDICINES CHINESE ACAD (CN) 2007-04-11 — — CN disclosed
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