SCHEMBL24100981

SCHEMBL24100981

O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1nnsc1Sc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ USP36 Q9P275 6/20 0.50
▸ TMPRSS4 Q9NRS4 4/20 0.44
▸ P2RX1 P51575 4/20 0.44
▸ P2RX4 Q99571 3/20 0.44
▸ P2RX7 Q99572 3/20 0.44
▸ IKBKB O14920 2/20 0.44
▸ CHUK O15111 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ MYLK Q15746 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ XPO1 O14980 1/20 0.44
▸ JUN P05412 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ S1PR2 O95136 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
SCHEMBL24101122 0.86 USP36 (0.57) MEN1KMT2AL3MBTL1USP36TMPRSS4
SCHEMBL25995004 0.86 MEN1 (0.56) MEN1KMT2AL3MBTL1USP36TMPRSS4
SCHEMBL24101123 0.83 MEN1 (0.60) MEN1KMT2AL3MBTL1USP36P2RX1
SCHEMBL24101320 0.81 KMT2A (0.66) MEN1KMT2AL3MBTL1USP36P2RX1
SCHEMBL24100990 0.81 ALDH1A1 (0.64) MEN1KMT2AL3MBTL1USP36TMPRSS4
SCHEMBL25995049 0.79 MEN1 (0.53) MEN1KMT2AL3MBTL1USP36S1PR4
SCHEMBL24101140 0.78 KMT2A (0.62) MEN1KMT2AL3MBTL1USP36TMPRSS4
SCHEMBL24101187 0.77 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1POLBHPGD
SCHEMBL25352531 0.77 MEN1 (0.55) MEN1KMT2AL3MBTL1USP36KDR
SCHEMBL24101318 0.76 MEN1 (0.63) MEN1KMT2AL3MBTL1USP36S1PR4

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-2021252068-A1 COMPOSITIONS, METHODS OF TREATING AND PREVENTING FUNGAL INFECTIONS, AND METHODS OF INHIBITING PRP8 INTEIN EXPRESSION HEALTH RESEARCH, INC. (US) 2021-12-16 — — WO disclosed
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