SCHEMBL5334297

SCHEMBL5334297

COc1cc2c(cc1O)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.81
▸ KMT2A Q03164 5/20 0.81
▸ NPSR1 Q6W5P4 2/20 0.81
▸ TSHR P16473 2/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ CYP1A2 P05177 2/20 0.81
▸ CYP3A4 P08684 2/20 0.81
▸ CYP2C9 P11712 2/20 0.81
▸ CYP2C19 P33261 2/20 0.81
▸ ALDH1A1 P00352 2/20 0.81
▸ KDM4E B2RXH2 2/20 0.81
▸ GMNN O75496 1/20 0.81
▸ LMNA P02545 1/20 0.81
▸ POLB P06746 1/20 0.81
▸ CYP2D6 P10635 1/20 0.81
▸ MAPT P10636 1/20 0.81
▸ HPGD P15428 1/20 0.81
▸ ALOX15 P16050 1/20 0.81
▸ ALOX12 P18054 1/20 0.81
▸ NFKB1 P19838 1/20 0.81

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
SCHEMBL5708825 0.94 MEN1 (0.77) MEN1KMT2ANPSR1TSHRMAPK1
Capsazepine SCHEMBL29570456 0.90 KMT2A (1.00) MEN1KMT2ANPSR1TSHRMAPK1
Capsazepine SCHEMBL122421 0.90 KMT2A (1.00) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL5708728 0.88 MEN1 (0.67) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL31657812 0.88 MEN1 (0.67) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL5708863 0.87 MAPT (0.90) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL6101712 0.87 MAPT (0.90) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL5708778 0.86 MEN1 (0.64) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL5708853 0.85 MEN1 (0.75) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL5708904 0.84 MAPT (0.71) MEN1KMT2ANPSR1TSHRMAPK1

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-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 — — WO disclosed
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