SCHEMBL45433

SCHEMBL45433

NC(=O)Cc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
NR4A2 P43354 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL44623 0.91 FFAR1 (0.42) KMT2ANPC1RAB9AALDH1A1FFAR1
SCHEMBL44472 0.88 HTT (0.40) GLAKMT2AMAPT
SCHEMBL44365 0.86 NOTUM (0.50) KMT2APTPN1NPC1RAB9AALDH1A1
SCHEMBL44277 0.85 MEN1 (0.42) KMT2AALDH1A1
SCHEMBL44304 0.85 KCNH2 (0.43) KMT2AALDH1A1MAPTTHRB
Hydrochloric Acid SCHEMBL45038 0.85 NOTUM (0.41) KMT2APTPN1NPC1RAB9AALDH1A1
SCHEMBL44354 0.84 HPGD (0.45) KMT2AALDH1A1POLB
SCHEMBL44170 0.84 GAA (0.41) NR4A2NPC1RAB9AMAPTTHRB
SCHEMBL44711 0.84 MAPT (0.43) KMT2ANPC1RAB9AMAPT
SCHEMBL44223 0.84 RAB9A (0.37) KMT2APTPN1NPC1RAB9AALDH1A1

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-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed