SCHEMBL14919658

SCHEMBL14919658

CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c2ccccc12

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
THRB P10828 1/20 0.68
LMNA P02545 8/20 0.65
NPSR1 Q6W5P4 2/20 0.65
TP53 P04637 1/20 0.65
ALDH1A1 P00352 5/20 0.64
HTT P42858 4/20 0.64
TSHR P16473 4/20 0.64
MCOLN3 Q8TDD5 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 3/20 0.62
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 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
SCHEMBL14919995 0.88 MAPT (0.85) MAPTTHRBLMNANPSR1TP53
SCHEMBL14919843 0.80 GAA (0.74) MAPTTHRBLMNANPSR1ALDH1A1
SCHEMBL29424351 0.78 TSHR (1.00) MAPTTHRBLMNANPSR1ALDH1A1
SCHEMBL14919572 0.77 LMNA (0.77) MAPTTHRBLMNANPSR1TP53
SCHEMBL14919519 0.75 ALDH1A1 (0.75) MAPTTHRBLMNANPSR1ALDH1A1
SCHEMBL14919987 0.72 ALDH1A1 (0.65) MAPTTHRBLMNANPSR1ALDH1A1
SCHEMBL14919797 0.70 ALDH1A1 (0.72) MAPTTHRBLMNANPSR1ALDH1A1
SCHEMBL3759669 0.69 TSHR (0.59) MAPTTHRBLMNANPSR1ALDH1A1
SCHEMBL14919605 0.68 POLB (0.63) MAPTLMNATP53ALDH1A1HTT
SCHEMBL15461584 0.67 TSHR (0.61) MAPTTHRBLMNANPSR1ALDH1A1

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