SCHEMBL3624591

SCHEMBL3624591

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1c[c]ccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK3 P52333 5/20 0.33
JAK2 O60674 4/20 0.33
BRD9 Q9H8M2 2/20 0.32
BRD4 O60885 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CARM1 Q86X55 1/20 0.32
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
SYK P43405 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KAT2B Q92831 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL303677 0.89 PTGDR2 (0.40) PTGDR2LMNASMN1; SMN2JAK3JAK2
SCHEMBL305390 0.87 PTGDR2 (0.39) PTGDR2LMNASMN1; SMN2JAK3JAK2
SCHEMBL1922279 0.85 CCNT1 (0.43) PTGDR2BRD4
SCHEMBL303566 0.84 PTGDR2 (0.44) PTGDR2LMNASMN1; SMN2JAK3JAK2
SCHEMBL305283 0.84 CCNT1 (0.40) PTGDR2LMNASMN1; SMN2JAK3JAK2
SCHEMBL302157 0.83 PTGDR2 (0.39) PTGDR2LMNASMN1; SMN2JAK3JAK2
SCHEMBL305142 0.83 MAPK14 (0.38) PTGDR2LMNASMN1; SMN2JAK3JAK2
SCHEMBL1922138 0.83 LMNA (0.37) PTGDR2LMNASMN1; SMN2JAK3JAK2
SCHEMBL305999 0.83 CCNT1 (0.39) PTGDR2JAK3JAK2KMT2ATP53
SCHEMBL303598 0.82 BRD4 (0.47) JAK3JAK2BRD9BRD4KAT2B

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-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed