SCHEMBL4789170

SCHEMBL4789170

O=C(/C=C(/c1ccc(OCC2CCCCC2)cc1)C(F)(F)F)Nc1nc(-c2ccc3c(c2)OCCO3)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.54
▸ SMN1; SMN2 Q16637 11/20 0.54
▸ NPC1 O15118 9/20 0.54
▸ MAPT P10636 9/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ NFKB1 P19838 3/20 0.54
▸ NFKB2 Q00653 3/20 0.54
▸ RELA Q04206 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ LMNA P02545 10/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ CLK1 P49759 2/20 0.47
▸ GSTO1 P78417 1/20 0.47

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
SCHEMBL4788526 1.00 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4788532 1.00 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL14041986 0.87 GSTO1 (0.51) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4787782 0.84 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4787776 0.84 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4788550 0.81 MAPT (0.55) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4788555 0.81 MAPT (0.55) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4788558 0.81 MAPT (0.55) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4746933 0.78 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4746942 0.78 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 — — WO claimed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 — — WO disclosed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 — — WO disclosed
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