SCHEMBL28801726

SCHEMBL28801726

O=S(=O)(Nc1ccccn1)c1ncc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
EGFR P00533 1/20 0.44
KDR P35968 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 1/20 0.43
HSD11B1 P28845 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL1458568 0.81 RAB9A (0.49) KDM4ESMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3374110 0.79 KDM4E (0.62) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL30925390 0.76 L3MBTL1 (0.42) KDM4ELMNAALDH1A1KMT2AEGFR
SCHEMBL7736717 0.76 LMNA (0.37) KDM4ELMNAALDH1A1EGFR
SCHEMBL329598 0.72 KDM4E (0.41) KDM4ELMNAALDH1A1EGFRHPGD
SCHEMBL637363 0.71 CA1 (0.45) KDM4ELMNAALDH1A1EGFRMAPK1
SCHEMBL1667129 0.71 KDM4E (0.75) KDM4ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL31387787 0.71 ALDH1A1 (0.41) KDM4ESMN1; SMN2LMNAALDH1A1EGFR
SCHEMBL7372803 0.71 L3MBTL1 (0.41) KDM4ESMN1; SMN2POLBALDH1A1TSHR
SCHEMBL5135088 0.71 KDM4E (0.60) KDM4ESMN1; SMN2LMNAPOLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097526-A MEK1 mutation conferring resistance to RAF and MEK inhibitors DANA FARBER CANCER INST INC 2013-05-08 CN disclosed
CN-103038364-A Methods of diagnosing and treating cancer in patients having or developing resistance to a first cancer therapy DANA FARBER CANCER INST INC 2013-04-10 CN disclosed