SCHEMBL25148593

SCHEMBL25148593

O=C(O)c1cc(S)c2c(c1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RXRB P28702 6/20 0.38
RXRA P19793 5/20 0.38
RXRG P48443 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
DAO P14920 1/20 0.37
AMPD3 Q01432 1/20 0.36
NLRP3 Q96P20 2/20 0.36
SRD5A1 P18405 3/20 0.35
SRD5A2 P31213 3/20 0.35
KDM1A O60341 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC16A3 O15427 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL16250244 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL4258102 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL27899887 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL11734471 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL25148643 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL11984315 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL11735852 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL11728495 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL11977471 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRXRBRXRA
SCHEMBL25148633 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRXRBRXRA

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-2023062627-A1 HERBICIDES AND USE THEREOF PROJINI AGCHEM LTD (IL) 2023-04-20 WO disclosed