SCHEMBL7834045

SCHEMBL7834045

COc1ccc(-c2c(C(=O)O)c(C(S)c3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ FGB P02675 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TNNI3 P19429 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ TNNT2 P45379 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ TNNC1 P63316 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ SLC10A2 Q12908 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 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
SCHEMBL7835960 0.95 KDM4E (0.41) KMT2AMEN1HSD17B10MAPK1FGB
SCHEMBL7831686 0.92 FFAR1 (0.40) KMT2AMEN1HSD17B10MAPK1FGB
SCHEMBL7832565 0.80 KDM4E (0.41) KMT2AMEN1HSD17B10SLC10A2ALDH1A1
SCHEMBL8629818 0.80 SLC10A2 (0.55) KMT2AMEN1HSD17B10MAPK1FGB
SCHEMBL7835666 0.78 ALDH1A1 (0.36) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL7832556 0.78 SLC10A2 (0.39) KMT2AMEN1HSD17B10SLC10A2ALDH1A1
SCHEMBL8138452 0.78 ALDH1A1 (0.37) KMT2AMEN1HSD17B10SLC10A2ALDH1A1
SCHEMBL8131985 0.78 ALDH1A1 (0.37) KMT2AMEN1HSD17B10SLC10A2ALDH1A1
SCHEMBL8131979 0.78 ALDH1A1 (0.37) KMT2AMEN1HSD17B10SLC10A2ALDH1A1
SCHEMBL7834035 0.76 ALDH1A1 (0.44) KMT2AMEN1HSD17B10MAPK1CASP1

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
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
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