SCHEMBL14222989

SCHEMBL14222989

Cc1ccc2c(c1)-c1sc(NC(=O)c3c(F)cccc3F)nc1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 3/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.43
▸ RORC P51449 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL14172589 0.89 GAA (0.46) GAAMAPTTP53KMT2AMEN1
SCHEMBL14172529 0.88 ALDH1A1 (0.44) GAAMAPTTP53KMT2AMEN1
SCHEMBL14172518 0.87 MAPT (0.54) GAAMAPTTP53KMT2AMEN1
SCHEMBL14172531 0.86 ALDH1A1 (0.51) GAAMAPTTP53KMT2AMEN1
SCHEMBL14172590 0.85 ALDH1A1 (0.42) GAAMAPTTP53KMT2AMEN1
SCHEMBL14222994 0.85 ALDH1A1 (0.42) GAAMAPTTP53KMT2AMEN1
SCHEMBL14223146 0.84 ALDH1A1 (0.47) GAAMAPTTP53KMT2AMEN1
SCHEMBL14222424 0.83 KDM4E (0.49) GAAMAPTTP53KMT2AMEN1
SCHEMBL12796226 0.82 ALDH1A1 (0.44) GAAMAPTTP53KMT2AMEN1
SCHEMBL14172538 0.82 ALDH1A1 (0.44) GAAMAPTTP53KMT2AMEN1

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
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 — — WO disclosed
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