SCHEMBL29932004

SCHEMBL29932004

Cc1nn(C)c(C2CCN(c3ccc(Cl)cc3F)CC2)c1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
FPR2 P25090 2/20 0.37
PROKR1 Q8TCW9 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MCOLN2 Q8IZK6 1/20 0.36
USP2 O75604 1/20 0.36
F10 P00742 5/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL29931746 0.90 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29932151 0.86 KMT2A (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29932027 0.84 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29932108 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29931920 0.80 GAA (0.37) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL24629102 0.80 MCOLN2 (0.46) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29772915 0.80 MCOLN2 (0.46) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29932109 0.80 MAPT (0.37) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29931852 0.79 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29931713 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1LMNA

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed