SCHEMBL7097879

SCHEMBL7097879

Cc1cn(I)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HAAO P46952 1/20 0.35
GAA P10253 1/20 0.35
MYC P01106 4/20 0.34
NR4A1 P22736 2/20 0.34
HMGB1 P09429 1/20 0.34
CXCL12 P48061 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL3669707 0.74 NOTUM (0.48) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL969676 0.74 NOTUM (0.39) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22289924 0.68 ALDH1A1 (0.38) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9611418 0.68 NOTUM (0.50) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29131835 0.66 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL6915834 0.65 KDM4E (0.47) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9562901 0.65 NOTUM (0.38) NOTUMALDH1A1KDM4EHSD17B10GABRP
SCHEMBL70135 0.64 KDM4E (0.54) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL235710 0.64 KDM4E (0.54) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11362906 0.64 BAZ2B (0.46) NOTUMALDH1A1KDM4EHPGDHSD17B10

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-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed