SCHEMBL29932151

SCHEMBL29932151

Cc1nn(C)c(N2CCN(c3ccc(Cl)cc3F)CC2)c1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
USP2 O75604 1/20 0.40
MCOLN2 Q8IZK6 1/20 0.39
SCN9A Q15858 1/20 0.38
NMT1 P30419 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ADORA2B P29275 1/20 0.37
PHGDH O43175 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
SCHEMBL29932004 0.86 ALDH1A1 (0.40) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL29931746 0.84 ALDH1A1 (0.40) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL29931830 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL29931713 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL29932109 0.83 MAPT (0.37) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL21244042 0.80 ALDH1A1 (0.52) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL29932027 0.78 ALDH1A1 (0.41) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL29932108 0.76 ALDH1A1 (0.43) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL24629102 0.73 MCOLN2 (0.46) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL23536606 0.73 POLB (0.45) ALDH1A1MAPTLMNAHTTKDM4E

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