SCHEMBL27488683

SCHEMBL27488683

O=C1CC(Cl)Sc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
MAOB P27338 1/20 0.36
BLM P54132 1/20 0.35
GSK3B P49841 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL68859 0.77 ALDH1A1 (0.57) S100A4SIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL8373688 0.77 SIGMAR1 (0.43) S100A4SIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL10814919 0.77 SIGMAR1 (0.47) S100A4SIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL8817667 0.77 SMN1; SMN2 (0.56) SIGMAR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28814207 0.77 SIGMAR1 (0.43) S100A4SIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL16585332 0.75 SIGMAR1 (0.43) S100A4SIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL10537641 0.74 GSK3B (0.51) SIGMAR1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2171598 0.73 MAPT (0.50) S100A4SIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL9635192 0.73 CA12 (0.39) S100A4SIGMAR1ALDH1A1HPGDHSD17B10
SCHEMBL8474208 0.73 SIGMAR1 (0.41) S100A4SIGMAR1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698456-B Synthesis method of 2, 3-dihydrothiochromen-4-one and derivatives thereof 重庆医药高等专科学校 2021-05-14 CN disclosed
CN-110698456-A Synthesis method of 2, 3-dihydrothiochromen-4-one and derivatives thereof 重庆医药高等专科学校 2020-01-17 CN disclosed
CN-102453028-B Antifungal agent-2- [ (2, 3-dihydro-4H-benzo [ b ] thiopyran-4-ylidene) hydrazono ] -4-oxotetrahydrothia (oxazole) -5-acetic acid derivative UNIV SHENYANG PHARMACEUTICAL 2014-07-30 CN disclosed
CN-101434595-B Antifungal agent-thiochromanone condensed amino urea series UNIV SHENYANG PHARMACEUTICAL 2014-06-25 CN disclosed
CN-101434595-A Antifungal agent-thiochromanone condensed amino urea series UNIV SHENYANG PHARMACEUTICAL (CN) 2009-05-20 CN disclosed
CN-1196696-C New thiochromane derivatives and use as thrombin inhibitors ASTRAZENECA AG (SE) 2005-04-13 CN disclosed
CN-1441799-A New thiochromane derivatives and use as thrombin inhibitors ASTRAZENECA AG (SE) 2003-09-10 CN disclosed