SCHEMBL14919981

SCHEMBL14919981

O=S(=O)(c1cccc2ccccc12)n1cnc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
HTT P42858 4/20 0.58
TSHR P16473 3/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
ALDH3A1 P30838 4/20 0.54
POLB P06746 4/20 0.54
NOD1 Q9Y239 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.50
ALOX5 P09917 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL422055 0.74 ALDH3A1 (0.77) GAAHTTTSHRALDH1A1USP2
SCHEMBL11610961 0.73 GAA (1.00) GAAHTTTSHRALDH1A1USP2
SCHEMBL1804076 0.73 HTT (0.66) GAAHTTTSHRALDH1A1USP2
SCHEMBL1248579 0.73 HTR6 (0.53) TSHRALDH1A1LMNA
SCHEMBL1249603 0.73 HTR6 (0.57) HTT
SCHEMBL8327245 0.71 HTT (0.80) GAAHTTTSHRALDH1A1USP2
SCHEMBL22462430 0.71 ALDH3A1 (0.61) GAAHTTTSHRALDH1A1USP2
SCHEMBL1070947 0.71 ALDH3A1 (0.57) GAAHTTTSHRALDH1A1USP2
SCHEMBL7100805 0.71 ALDH3A1 (0.61) GAAHTTTSHRALDH1A1USP2
SCHEMBL830432 0.71 ALDH3A1 (0.57) GAAHTTTSHRALDH1A1USP2

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