SCHEMBL8358231

SCHEMBL8358231

CCCCOc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
LMNA P02545 4/20 0.53
ALPG P10696 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
PLA2G4B P0C869 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8358085 0.94 MAPT (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10940683 0.92 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8360477 0.92 MAPT (0.63) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL26930475 0.88 MAPT (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL26930691 0.88 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11581876 0.86 MAPT (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8356136 0.85 MAPT (0.61) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL11596939 0.83 MAPT (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9322138 0.83 THRA (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15822392 0.83 MAPT (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013116823-A1 BENZIMIDAZOLES AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-08-08 WO disclosed
WO-2013116823-A1 BENZIMIDAZOLES AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-08-08 WO disclosed
US-5910578-A NOVEL AZO DYES USEFUL FOR DYEING OR PRINTING SYNTHETIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-06-08 US disclosed