SCHEMBL5312871

SCHEMBL5312871

Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 1.00
▸ MEN1 O00255 5/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ MAPT P10636 2/20 1.00
▸ GAA P10253 2/20 1.00
▸ CRHBP P24387 1/20 1.00
▸ CRHR2 Q13324 1/20 1.00
▸ HTT P42858 4/20 0.80
▸ ALDH1A1 P00352 7/20 0.71
▸ LMNA P02545 4/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ HPGD P15428 3/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ TSHR P16473 1/20 0.62
▸ POLB P06746 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ TP53 P04637 1/20 0.53

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
SCHEMBL23183510 0.77 TSHR (0.80) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL14110759 0.77 TSHR (1.00) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL5310142 0.77 ALDH1A1 (1.00) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL26404201 0.77 TSHR (0.74) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL26404278 0.74 KMT2A (0.58) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL12818167 0.70 ALDH1A1 (0.78) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL26403803 0.70 TSHR (0.67) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL4736267 0.69 MAPT (0.64) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL14146556 0.67 MAPT (0.51) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL24088136 0.67 KDM4E (0.76) KMT2AMEN1SMN1; SMN2MAPTGAA

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 — — US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 — — WO claimed
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