SCHEMBL7991971

SCHEMBL7991971

CN(C)CCCOc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(Cl)cc3)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.45
CHEK2 O96017 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PSMD14 O00487 1/20 0.44
HPGD P15428 1/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 3/20 0.43
KCNA5 P22460 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL7990688 0.96 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7991553 0.92 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7977815 0.92 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7978135 0.92 ALOX5 (0.56) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7989527 0.91 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7978079 0.91 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7988486 0.90 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7978324 0.89 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7977354 0.88 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7988634 0.88 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1GAA

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US claimed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed