SCHEMBL3940476

SCHEMBL3940476

COc1cccc(N=Nc2ccccc2)c1.O=[N+]([O-])c1cccc(N=Nc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
GSK3B P49841 2/20 0.48
NFE2L2 Q16236 1/20 0.48
IDO1 P14902 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.46
CCNT1 O60563 1/20 0.46

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
SCHEMBL3940471 1.00 NPC1 (0.56) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1405402 0.86 NPC1 (0.65) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1405403 0.86 NPC1 (0.65) NPC1RAB9ACASP3SENP8SENP7
Anisole SCHEMBL28873619 0.83 NFE2L2 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1405164 0.83 GSK3B (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1405162 0.83 GSK3B (0.57) NPC1RAB9AMEN1KMT2AMAPT
Dinitrophenylene SCHEMBL27491213 0.81 LMNA (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30059246 0.81 LMNA (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL515302 0.81 LMNA (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28218708 0.81 LMNA (0.61) 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
US-7556844-B2 Radiation curable photochromic inks XEROX CORPORATION (US) 2009-07-07 US disclosed