SCHEMBL24313767

SCHEMBL24313767

CCOc1ccc(C(C)CC)cc1S(=O)(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALPL P05186 2/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.47
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 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
SCHEMBL741127 0.89 ALDH1A1 (0.59) TSHRALDH1A1SMN1; SMN2ALPLKMT2A
SCHEMBL10638959 0.86 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2TRPV4GAA
SCHEMBL22587940 0.85 CA1 (0.50) TSHRALDH1A1SMN1; SMN2ALPLKMT2A
SCHEMBL18713469 0.78 MAPT (0.45) TSHRALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7870540 0.78 TSHR (0.58) TSHRALDH1A1SMN1; SMN2ALPLKMT2A
SCHEMBL2703971 0.78 TSHR (0.62) TSHRALDH1A1SMN1; SMN2ALPLKMT2A
SCHEMBL34468880 0.78 TSHR (0.58) TSHRALDH1A1SMN1; SMN2ALPLKMT2A
SCHEMBL29959795 0.78 TSHR (0.58) TSHRALDH1A1SMN1; SMN2ALPLKMT2A
SCHEMBL21609096 0.76 TRPV4 (0.50) TSHRALDH1A1ALPLKMT2ATRPV4
SCHEMBL2701151 0.76 GAA (0.58) TSHRALDH1A1SMN1; SMN2KMT2ATRPV4

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
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed
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