SCHEMBL4129380

SCHEMBL4129380

c1ccc2c(c1)NC(N=NC1Nc3ccccc3S1)S2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
RAB9A P51151 2/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
ALOX15 P16050 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX12 P18054 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 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
SCHEMBL19675307 0.88 IDO1 (0.48) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL28090634 0.83 IDO1 (0.52) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL936605 0.79 IDO1 (0.37) IDO1RAB9ATDP1ALOX15POLB
SCHEMBL11277042 0.79 IDO1 (0.47) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL21808704 0.75 IDO1 (0.61) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL16711400 0.71 IDO1 (0.57) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL12661831 0.71 IDO1 (0.57) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL11118464 0.71 IDO1 (0.57) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL1754221 0.71 IDO1 (0.57) IDO1RAB9AMEN1KMT2ATDP1
SCHEMBL11539110 0.71 IDO1 (0.57) IDO1RAB9AMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2290047-B1 Process for colour neutralizing compositions PROCTER & GAMBLE (US) 2013-05-08 EP claimed
EP-1794276-B1 LAUNDRY TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2009-04-29 EP claimed