SCHEMBL5310142

SCHEMBL5310142

Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ LMNA P02545 4/20 1.00
▸ HTT P42858 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ HPGD P15428 3/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ PKM P14618 1/20 1.00
▸ HSD17B10 Q99714 2/20 0.79
▸ ALOX15 P16050 1/20 0.79
▸ POLB P06746 1/20 0.63
▸ MAPT P10636 4/20 0.63
▸ GAA P10253 2/20 0.63
▸ CRHBP P24387 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ TSHR P16473 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ TP53 P04637 3/20 0.52

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
SCHEMBL5312871 0.77 KMT2A (1.00) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL23183510 0.74 TSHR (0.80) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL14110759 0.74 TSHR (1.00) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL12818167 0.68 ALDH1A1 (0.78) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL20340021 0.68 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL30761215 0.67 KMT2A (0.59) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL20339992 0.67 KMT2A (0.59) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL13652655 0.67 MAPT (0.82) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL6321405 0.66 MAPT (0.62) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL24088076 0.65 LMNA (0.55) ALDH1A1KMT2ALMNAHTTMEN1

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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