SCHEMBL17537643

SCHEMBL17537643

O=C(c1nc(-c2c[nH]c3cc(Cl)ccc23)cs1)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
ATP4A P20648 5/20 0.47
ATP4B P51164 5/20 0.47
DYRK1A Q13627 2/20 0.46
GSK3B P49841 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
CGAS Q8N884 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 1/20 0.40
NCOA2 Q15596 1/20 0.40

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
SCHEMBL17537648 0.94 ATP4A (0.42) NR4A2ATP4AATP4BDYRK1AGSK3B
SCHEMBL17537646 0.86 ATP4A (0.46) ATP4AATP4BMEN1KMT2AMAPT
SCHEMBL17537647 0.86 ADRA1A (0.50) ATP4AATP4BGSK3BMEN1KMT2A
SCHEMBL17537657 0.83 KMT2A (0.63) ATP4AATP4BMEN1KMT2AMAPT
SCHEMBL17537645 0.81 ADRA1A (0.46) ATP4AATP4BGSK3BMEN1KMT2A
SCHEMBL17537644 0.81 ADRA1A (0.46) ATP4AATP4BGSK3BMEN1KMT2A
SCHEMBL17537630 0.80 NR4A2 (0.50) NR4A2ATP4AATP4BDYRK1AGSK3B
SCHEMBL22585121 0.77 NR4A2 (0.46) NR4A2GSK3BMEN1KMT2AMAPT
SCHEMBL22585119 0.77 NR4A2 (0.46) NR4A2GSK3BMEN1KMT2AMAPT
SCHEMBL23566280 0.76 NR4A2 (0.42) NR4A2DYRK1AMEN1KMT2AMAPT

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-2016023106-A1 BIS-INDOLE ALKALOIDS FOR USE IN THE TREATMENT OF INFECTIONS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-02-18 WO disclosed