SCHEMBL14919833

SCHEMBL14919833

COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)c2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
POLB P06746 4/20 0.59
KMT2A Q03164 4/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SLC40A1 Q9NP59 2/20 0.53
NFKBIA P25963 1/20 0.51
RELA Q04206 1/20 0.51
MEN1 O00255 2/20 0.50
AGTR1 P30556 1/20 0.50
SLC16A3 O15427 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 0.83 POLB (0.58) TSHRPOLBKMT2AMAPTLMNA
SCHEMBL14919916 0.82 ALDH1A1 (0.61) TSHRPOLBKMT2AMAPTLMNA
SCHEMBL14919481 0.82 POLB (0.68) TSHRPOLBKMT2AMAPTALDH1A1
SCHEMBL14919803 0.82 POLB (0.67) TSHRPOLBKMT2AMAPTLMNA
SCHEMBL14919801 0.80 POLB (0.59) TSHRPOLBKMT2AMAPTLMNA
SCHEMBL14920008 0.80 POLB (0.64) POLBKMT2AMAPTALDH1A1HPGD
SCHEMBL14920079 0.79 POLB (0.76) TSHRPOLBKMT2AMAPTALDH1A1
SCHEMBL14919972 0.77 ALDH1A1 (0.71) TSHRPOLBKMT2AMAPTLMNA
SCHEMBL14919509 0.76 KMT2A (0.65) TSHRPOLBKMT2AMAPTLMNA
SCHEMBL14919610 0.75 ALDH1A1 (0.78) TSHRPOLBKMT2AMAPTLMNA

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