SCHEMBL23536658

SCHEMBL23536658

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
MCOLN2 Q8IZK6 1/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 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
SCHEMBL23536124 0.87 TSHR (0.39) KMT2AALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL29931867 0.87 TSHR (0.39) KMT2AALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL23536363 0.85 MCOLN2 (0.48) KMT2AMAPTALDH1A1CRHBPCRHR2
SCHEMBL23536136 0.84 TSHR (0.38) KMT2AMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL29932103 0.84 TSHR (0.38) KMT2AMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL23536003 0.84 GPR55 (0.38) KMT2AALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL29931921 0.82 POLB (0.41) KMT2AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL23536117 0.82 POLB (0.41) KMT2AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL23535959 0.82 SMN1; SMN2 (0.42) KMT2AMAPTALDH1A1CRHBPCRHR2
SCHEMBL29948492 0.82 SMN1; SMN2 (0.42) KMT2AMAPTALDH1A1CRHBPCRHR2

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed