SCHEMBL29914969

SCHEMBL29914969

O=S(=O)(c1ccccc1)c1cncc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
EGFR P00533 2/20 0.51
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
FFAR2 O15552 1/20 0.42
POLB P06746 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
APLNR P35414 1/20 0.39
MAPT P10636 1/20 0.39
S100A9 P06702 1/20 0.38

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
SCHEMBL5582693 1.00 HTR6 (0.52) HTR6EGFRALOX15HTTFFAR2
SCHEMBL31375066 0.88 S100A9 (0.44) HTR6EGFRALOX15HTTPOLB
SCHEMBL31109019 0.82 POLB (0.54) EGFRALOX15HTTPOLBHCAR2
SCHEMBL7971906 0.78 HTR6 (0.52) HTR6HTTFFAR2HCAR2PRMT5
SCHEMBL19880218 0.78 HTR6 (0.52) HTR6HTTPOLBPRMT5WDR77
SCHEMBL17589590 0.78 CYP11B1 (0.54) HTR6HTTPOLBHCAR2PRMT5
SCHEMBL114613 0.78 HTR6 (0.52) HTR6FFAR2POLBPRMT5WDR77
SCHEMBL29945255 0.76 HTR6 (0.61) HTR6EGFRPOLBALDH1A1SMN1; SMN2
SCHEMBL3831593 0.76 HTR6 (0.61) HTR6EGFRPOLBALDH1A1SMN1; SMN2
SCHEMBL12909455 0.76 FEN1 (0.45) EGFRALOX15HTTPOLBALDH1A1

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
EP-4304720-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-01-17 EP disclosed
WO-2022192745-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-09-15 WO disclosed