SCHEMBL30280408

SCHEMBL30280408

COCc1c(I)c2cc(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NOD1 Q9Y239 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH3A1 P30838 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL30280419 0.90 KDM4E (0.37) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL30280403 0.88 ENPP3 (0.40) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL20502619 0.87 AGTR1 (0.42) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL7513541 0.83 PTGDR2 (0.43) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL30280480 0.81 ENPP3 (0.41) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL30280475 0.81 ENPP3 (0.41) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL31396633 0.81 ENPP3 (0.34) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL31396552 0.80 PTGDR2 (0.34) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL31396494 0.80 MAPT (0.37) ENPP3ENPP1PTGDR2ALDH1A1MAPT
SCHEMBL30280425 0.78 ENPP3 (0.39) ENPP3ENPP1PTGDR2ALDH1A1MAPT

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-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 WO disclosed