SCHEMBL21723738

SCHEMBL21723738

CCOP(=O)(CS(=O)(=O)c1ccccc1OOC(C)=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
NR1I2 O75469 2/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL21724689 0.80 L3MBTL1 (0.52) MAPTMAPK1ALDH1A1POLBSMN1; SMN2
SCHEMBL21724298 0.78 NPSR1 (0.38) MAPTMAPK1ALDH1A1LMNANR1I2
SCHEMBL31248428 0.78 USP2 (0.46) MAPTMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL31389219 0.76 POLB (0.37) MAPTMAPK1ALDH1A1LMNANR1I2
SCHEMBL28653411 0.74 HPGD (0.49) ALDH1A1LMNANR1I2KDM4EHCRTR1
SCHEMBL31389220 0.74 KDM4E (0.38) MAPTMAPK1ALDH1A1LMNAPOLB
SCHEMBL31248443 0.74 TSHR (0.39) ALDH1A1LMNANPSR1KDM4E
SCHEMBL31389222 0.74 KDM4E (0.38) MAPTMAPK1ALDH1A1LMNAPOLB
SCHEMBL27855383 0.73 MYC (0.39) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1396563 0.70 PSIP1 (0.53) MAPTMAPK1ALDH1A1LMNANR1I2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112930345-A Novel halo- (3- (phenylsulfonyl) prop-1-ene) pyridine derivatives and uses thereof 韩国科学技术研究院 2021-06-08 CN claimed
WO-2020036474-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF 한국과학기술연구원 2020-02-20 WO claimed
CN-112930345-A Novel halo- (3- (phenylsulfonyl) prop-1-ene) pyridine derivatives and uses thereof 韩国科学技术研究院 2021-06-08 CN disclosed
WO-2020036474-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF 한국과학기술연구원 2020-02-20 WO disclosed