SCHEMBL5116759

SCHEMBL5116759

Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2C)c(-c2cnco2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.48
CCR9 P51686 2/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
IMPDH1 P20839 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
P2RY1 P47900 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
POLB P06746 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
SCHEMBL5033825 0.83 IMPDH2 (0.44) IMPDH2CCR9NPC1RAB9AIMPDH1
SCHEMBL5027352 0.82 IMPDH2 (0.55) IMPDH2CCR9NPC1RAB9AIMPDH1
SCHEMBL5030804 0.72 IMPDH2 (0.55) IMPDH2NPC1RAB9AIMPDH1ALDH1A1
SCHEMBL4465379 0.71 MEN1 (0.47) IMPDH2IMPDH1KDM4EHSD17B10MEN1
SCHEMBL5032038 0.70 IMPDH2 (0.55) IMPDH2NPC1RAB9AP2RY1ALDH1A1
SCHEMBL5032059 0.69 IMPDH2 (0.66) IMPDH2NPC1RAB9AIMPDH1P2RY1
SCHEMBL10035045 0.68 IMPDH2 (0.51) IMPDH2NPC1RAB9AIMPDH1LMNA
SCHEMBL5029487 0.67 IMPDH2 (0.54) IMPDH2NPC1RAB9AIMPDH1P2RY1
SCHEMBL5033768 0.67 IMPDH2 (0.54) IMPDH2NPC1RAB9AIMPDH1P2RY1
SCHEMBL5445930 0.67 IL2 (0.43) NPC1RAB9AEDNRBEDNRAALDH1A1

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-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed