SCHEMBL14919916

SCHEMBL14919916

COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c2cccnc12

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 2/20 0.61
POLB P06746 4/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.50
MAPK1 P28482 2/20 0.49
USP2 O75604 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
SCHEMBL14919795 0.88 POLB (0.58) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919481 0.82 POLB (0.68) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919833 0.82 TSHR (0.60) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919972 0.81 ALDH1A1 (0.71) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919801 0.80 POLB (0.59) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919803 0.80 POLB (0.67) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14920008 0.80 POLB (0.64) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919610 0.80 ALDH1A1 (0.78) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919509 0.78 KMT2A (0.65) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL14919790 0.78 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10KDM4EPOLB

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