SCHEMBL877661

SCHEMBL877661

Nc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
RAB9A P51151 7/20 0.58
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
KDM4E B2RXH2 8/20 0.50
NPC1 O15118 5/20 0.50
IKBKB O14920 5/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 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
SCHEMBL6229303 0.87 MAPT (0.67) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL6610018 0.83 IKBKB (0.64) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL875026 0.83 MAPT (0.53) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL7055593 0.79 MAPT (0.52) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL4354866 0.73 MAPT (1.00) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL6607594 0.72 MAPT (0.69) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL30816304 0.70 APP (0.60) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL10070140 0.69 MAPT (0.78) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL5195941 0.68 KDM4E (0.76) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL5370617 0.68 MAPT (0.76) MAPTRAB9AMEN1KMT2AKDM4E

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
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed