SCHEMBL14919790

SCHEMBL14919790

COc1ccc(S(=O)(=O)NC2CC2)c2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 3/20 0.61
HSD17B10 Q99714 3/20 0.61
KMT2A Q03164 2/20 0.57
GAA P10253 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.50
MCOLN3 Q8TDD5 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL14919610 0.80 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14919776 0.78 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14919916 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14919481 0.78 POLB (0.68) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14919706 0.77 FTO (0.63) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL1332026 0.77 KMT2A (0.62) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL1333403 0.77 COMT (0.63) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14919972 0.77 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14919711 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL7399750 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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-2013066469-A2 KINASE INHIBITORS CAPABLE OF INCREASING THE SENSITIVITY OF BACTERIAL PATHOGENS TO B-LACTAM ANTIBIOTICS SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2013-05-10 WO disclosed