SCHEMBL12466203

SCHEMBL12466203

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 5/20 0.50
PRKCZ Q05513 5/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAP4K4 O95819 1/20 0.46
RORB Q92753 1/20 0.45
MAPK1 P28482 2/20 0.44
ANO1 Q5XXA6 4/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
DHFR P00374 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3975112 0.87 PRKCZ (0.50) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL3975200 0.85 PRKCZ (0.48) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL1799330 0.82 KMT2A (0.69) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL4932598 0.82 HSD17B10 (0.51) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL12465745 0.82 HSD17B10 (0.51) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL2369108 0.81 PRKCZ (0.63) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL27729284 0.81 HSD17B10 (0.50) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL689025 0.80 PRKCZ (0.73) HSD17B10ALDH1A1PRKCZMAPTLMNA
SCHEMBL18956233 0.80 PRKCZ (0.52) HSD17B10ALDH1A1PRKCZMAPTHPGD
SCHEMBL8188234 0.80 KMT2A (0.65) HSD17B10ALDH1A1PRKCZMAPTLMNA

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