SCHEMBL29253289

SCHEMBL29253289

CCCOC(=S)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MGLL Q99685 3/20 0.51
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL28211121 0.92 LMNA (0.50) ALDH1A1MGLLHPGDNPSR1LMNA
SCHEMBL29253290 0.90 ALDH1A1 (0.49) ALDH1A1MGLLNPSR1LMNAMAPT
SCHEMBL29253474 0.86 ALDH1A1 (0.54) ALDH1A1MGLLNPSR1LMNAMAPT
SCHEMBL29253297 0.78 ALDH1A1 (0.55) ALDH1A1MGLLNPSR1LMNAMAPT
SCHEMBL11585014 0.74 MGLL (0.55) ALDH1A1MGLLNPSR1LMNATSHR
SCHEMBL29253251 0.74 MGLL (0.50) ALDH1A1MGLLNPSR1LMNAMAPT
SCHEMBL27509628 0.72 ALDH1A1 (0.50) ALDH1A1MGLLHPGDLMNAMAPT
SCHEMBL1253445 0.72 LMNA (0.45) ALDH1A1MGLLHPGDLMNANPC1
SCHEMBL17229422 0.72 ALDH1A1 (0.59) ALDH1A1MGLLNPSR1LMNATSHR
SCHEMBL9099866 0.71 ALDH1A1 (0.53) ALDH1A1MGLLHPGDLMNAMAPT

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
CN-118294561-A Method for measuring methanesulfonate in transdermal patch by derivatization HPLC-UV method 上海世领制药有限公司 2024-07-05 CN disclosed