SCHEMBL24136179

SCHEMBL24136179

O=C(O)c1csc(-c2ccc(I)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
HPGDS O60760 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
PLA2G10 O15496 1/20 0.51
PTPN1 P18031 1/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ACHE P22303 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL26319518 0.84 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL1785557 0.84 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL2104811 0.84 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL352152 0.84 HPGDS (0.73) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL15754791 0.83 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL2554731 0.83 HDAC1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL3412110 0.83 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL3098211 0.83 ALDH1A1 (1.00) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL10037306 0.83 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL657641 0.82 ALDH1A1 (0.70) ALDH1A1HPGDSKDM4EHDAC1HDAC8

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-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed