SCHEMBL4970947

SCHEMBL4970947

O=[N+]([O-])c1ccc(C2=NNCCc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
IDO1 P14902 1/20 0.40
PLA2G1B P04054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
NPC1 O15118 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOB P27338 1/20 0.39
AR P10275 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL15975043 0.81 PRCP (0.44) MAPTSMN1; SMN2RAB9AIDO1NPC1
SCHEMBL6716592 0.79 MAPT (0.46) HTR7MAPTSMN1; SMN2RAB9ACASP3
SCHEMBL7453036 0.77 ROCK2 (0.54) HTR7MAPTSMN1; SMN2IDO1PLA2G1B
SCHEMBL7447280 0.76 CHRM1 (0.43) HTR7MAPTSMN1; SMN2RAB9ACASP3
Biphenyl SCHEMBL27762344 0.73 MAPK1 (0.49) HTR7MAPTSMN1; SMN2HTR1AMEN1
SCHEMBL7445311 0.73 HTR7 (0.41) HTR7MAPTSMN1; SMN2RAB9ACASP3
SCHEMBL3323934 0.73 CA12 (0.43) HTR7MAPTRAB9ACASP3SENP8
Formamide SCHEMBL28839188 0.69 FLT3 (0.41) MAPTSMN1; SMN2RAB9ANPC1ADRA2C
Indoline SCHEMBL27976870 0.67 MEN1 (0.45) MAPTSMN1; SMN2RAB9ACASP3SENP8
SCHEMBL28240316 0.67 ALDH1A1 (0.58) HTR7MAPTTDP1MAOBMEN1

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-2008124075-A1 NOVEL 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-16 WO disclosed