SCHEMBL30280480

SCHEMBL30280480

Cc1ccc(S(=O)(=O)n2c(Cl)c(I)c3cc(Br)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
LMNA P02545 2/20 0.37
ALDH3A1 P30838 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL30280475 1.00 ENPP3 (0.41) ENPP3ENPP1PTGDR2ABL1BCR
SCHEMBL25262262 0.88 ENPP3 (0.42) ENPP3ENPP1PTGDR2ABL1BCR
SCHEMBL7513541 0.88 PTGDR2 (0.43) ENPP3ENPP1PTGDR2ABL1BCR
SCHEMBL20502449 0.84 ENPP3 (0.40) ENPP3ENPP1PTGDR2ABL1BCR
SCHEMBL30280403 0.84 ENPP3 (0.40) ENPP3ENPP1PTGDR2LMNAALDH3A1
SCHEMBL20502619 0.83 AGTR1 (0.42) ENPP3ENPP1PTGDR2LMNAALDH3A1
SCHEMBL30280425 0.83 ENPP3 (0.39) ENPP3ENPP1PTGDR2ABL1BCR
SCHEMBL20502546 0.81 PTGDR2 (0.43) ENPP3ENPP1PTGDR2ABL1BCR
SCHEMBL23101603 0.81 PTGDR2 (0.41) ENPP3ENPP1PTGDR2ABL1BCR
SCHEMBL30280408 0.81 ENPP3 (0.38) ENPP3ENPP1PTGDR2LMNAALDH3A1

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