SCHEMBL12465745

SCHEMBL12465745

Nc1scc(-c2cccc(F)c2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
PRKCZ Q05513 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.44
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL3976253 0.87 PRKCZ (0.50) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL1799330 0.82 KMT2A (0.69) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL12466203 0.82 HSD17B10 (0.51) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL4932598 0.82 HSD17B10 (0.51) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL12466271 0.82 ADORA1 (0.49) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL2367950 0.81 PRKCZ (0.63) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL3980156 0.81 PRKCZ (0.45) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL27729284 0.81 HSD17B10 (0.50) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL689202 0.80 PRKCZ (0.73) HSD17B10PRKCZALDH1A1MAPTMEN1
SCHEMBL8188234 0.80 KMT2A (0.65) HSD17B10PRKCZALDH1A1MAPTMEN1

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
WO-2012100732-A1 RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS, COMPOSITION CONTAINING THEM AND USES THEREOF GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed
CN-101351453-A Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-21 CN disclosed