SCHEMBL23536626

SCHEMBL23536626

CC(C)(C)c1ccc(S(=O)(=O)n2nc(N3CCN(c4ncc(Cl)cc4F)CC3)c3ncccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL23570345 0.77 ALDH1A1 (0.44) HSD11B1MEN1KMT2AALDH1A1TSHR
SCHEMBL23536536 0.77 HSD11B1 (0.40) HSD11B1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL23536736 0.73 PDE4A (0.37) HSD11B1MEN1KMT2AALDH1A1TSHR
SCHEMBL23536561 0.70 RORC (0.36) HSD11B1ALDH1A1
SCHEMBL3212746 0.68 HSD11B1 (0.76) HSD11B1MEN1KMT2ATDP1GBA1
SCHEMBL31713632 0.68 HSD11B1 (0.38) HSD11B1KMT2AALDH1A1HPGDHTT
SCHEMBL23570175 0.67 HTR6 (0.63)
SCHEMBL23536541 0.67 RORC (0.37) HSD11B1
SCHEMBL31713402 0.66 ABL1 (0.38) HSD11B1KMT2AALDH1A1HPGDTSHR
SCHEMBL31713696 0.66 ABL1 (0.36) HSD11B1ALDH1A1HPGDHTTSMN1; SMN2

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed