SCHEMBL29948574

SCHEMBL29948574

Cc1ccc(S(=O)(=O)c2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
THRB P10828 2/20 0.41
HTR6 P50406 1/20 0.40
LMNA P02545 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CNR1 P21554 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GRM5 P41594 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL23536112 1.00 POLB (0.42) POLBTHRBHTR6LMNAKMT2A
SCHEMBL29931921 0.89 POLB (0.41) POLBTHRBHTR6LMNAKMT2A
SCHEMBL23536117 0.89 POLB (0.41) POLBTHRBHTR6LMNAKMT2A
SCHEMBL28867404 0.88 LMNA (0.39) POLBLMNAMAPTTSHRMAPK1
SCHEMBL29931982 0.85 PGR (0.43) POLBHTR6LMNAKMT2AMEN1
SCHEMBL23536108 0.85 PGR (0.43) POLBHTR6LMNAKMT2AMEN1
SCHEMBL29932141 0.84 SMN1; SMN2 (0.41) POLBTHRBLMNAKMT2AMEN1
SCHEMBL23536165 0.83 TSHR (0.43) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL29931966 0.83 TSHR (0.43) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL29931915 0.83 ALDH1A1 (0.39) LMNAKMT2AALDH1A1HTTGRM2

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed