SCHEMBL5980705

SCHEMBL5980705

COC(=O)Oc1cc2cccc(-c3ccc(N4CCOCC4)cc3)c2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CNR2 P34972 1/20 0.43
TTK P33981 1/20 0.42
PRKDC P78527 2/20 0.41
GSK3B P49841 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CFTR P13569 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
APP P05067 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5978772 0.89 CNR2 (0.44) MEN1HCRTR1KMT2AJAK2JAK1
SCHEMBL2196191 0.85 MRGPRX4 (0.45) MEN1HCRTR1KMT2AJAK2JAK1
SCHEMBL2197388 0.80 HSD17B10 (0.56) CNR2PRKDCCFTRALDH1A1KDM4E
SCHEMBL12237722 0.71 CHRNA7 (0.63)
SCHEMBL12260955 0.71 CHRNA7 (0.63)
Hydrochloric Acid SCHEMBL2196032 0.70 CHRNA7 (0.62)
SCHEMBL17858460 0.69 CHRNA7 (0.57) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL5230830 0.69 CA2 (0.51) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5234682 0.68 CHRNA7 (0.41) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5200826 0.68 CHRNA1 (0.40) ALDH1A1KDM4EMAPTHPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 WO disclosed