SCHEMBL24801201

SCHEMBL24801201

CC(NC(=O)Nc1ccc(S(=O)(=O)Cc2ccc3c(c2)C(C)(F)CNC3)cc1)c1cccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 0.35
▸ GHSR Q92847 1/20 0.33
▸ ITGB1 P05556 7/20 0.32
▸ ITGA4 P13612 7/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ NAMPT P43490 3/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ PCTP Q9UKL6 1/20 0.32
▸ STARD10 Q9Y365 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL24801232 0.93 IDH1 (0.35) MLNRITGB1ITGA4ITGB7NAMPT
SCHEMBL19377342 0.93 MLNR (0.36) MLNRGHSRITGB1ITGA4NAMPT
SCHEMBL19377071 0.87 MLNR (0.39) MLNRGHSRITGB1ITGA4IDH1
SCHEMBL19377070 0.87 MLNR (0.39) MLNRGHSRITGB1ITGA4IDH1
SCHEMBL19377656 0.84 MLNR (0.46) MLNR
SCHEMBL19377658 0.84 MLNR (0.46) MLNR
SCHEMBL19377369 0.84 MLNR (0.46) MLNR
SCHEMBL19377366 0.84 MLNR (0.46) MLNR
SCHEMBL19377152 0.83 MLNR (0.35) MLNRGHSRITGB1ITGA4IDH1
SCHEMBL19377417 0.82 GHSR (0.38) MLNRGHSRNAMPTIDH1PCTP

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
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 — — EP disclosed
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