SCHEMBL14919972

SCHEMBL14919972

COc1ccc(NS(=O)(=O)c2ccc(OC)c3ncccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
MAPT P10636 2/20 0.65
POLB P06746 2/20 0.65
HTT P42858 3/20 0.65
TP53 P04637 1/20 0.65
LMNA P02545 5/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.53
GLA P06280 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALPL P05186 1/20 0.51

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
SCHEMBL14919803 0.86 POLB (0.67) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL14919509 0.84 KMT2A (0.65) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL14919916 0.81 ALDH1A1 (0.61) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL14919481 0.81 POLB (0.68) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL14919801 0.79 POLB (0.59) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL14920008 0.79 POLB (0.64) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL22422345 0.79 TP53 (1.00) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL14919610 0.79 ALDH1A1 (0.78) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL14919795 0.78 POLB (0.58) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL14919833 0.77 TSHR (0.60) ALDH1A1MAPTPOLBLMNAKDM4E

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