SCHEMBL8006711

SCHEMBL8006711

CCN(CC)c1ccc2c(C)cc(=S)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.68
▸ GLA P06280 7/20 0.68
▸ IGLV6-57 P01721 6/20 0.68
▸ L3MBTL1 Q9Y468 6/20 0.68
▸ ATM Q13315 6/20 0.68
▸ HPGD P15428 5/20 0.68
▸ CASP1 P29466 5/20 0.68
▸ CASP7 P55210 5/20 0.68
▸ HSD17B10 Q99714 5/20 0.68
▸ CYP3A4 P08684 3/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ KDM4E B2RXH2 8/20 0.52
▸ HTT P42858 5/20 0.52
▸ TDP1 Q9NUW8 4/20 0.52
▸ MAPT P10636 5/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51

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
SCHEMBL29362472 0.81 ALDH1A1 (1.00) ALDH1A1GLAIGLV6-57L3MBTL1ATM
SCHEMBL67108 0.81 ALDH1A1 (1.00) ALDH1A1GLAIGLV6-57L3MBTL1ATM
SCHEMBL384286 0.81 ALDH1A1 (1.00) ALDH1A1GLAIGLV6-57L3MBTL1ATM
SCHEMBL24860258 0.81 ALDH1A1 (0.49) ALDH1A1GLAIGLV6-57L3MBTL1ATM
SCHEMBL30430934 0.81 ALDH1A1 (0.53) ALDH1A1GLAIGLV6-57L3MBTL1ATM
SCHEMBL24235203 0.79 ALDH1A1 (0.47) ALDH1A1GLAIGLV6-57L3MBTL1ATM
Isothiocyanate SCHEMBL9341143 0.77 ALDH1A1 (0.84) ALDH1A1GLAIGLV6-57L3MBTL1ATM
SCHEMBL22372428 0.76 ALDH1A1 (0.66) ALDH1A1GLAIGLV6-57L3MBTL1ATM
SCHEMBL24023214 0.75 ALDH1A1 (0.78) ALDH1A1GLAIGLV6-57L3MBTL1ATM
Sulfuric Acid SCHEMBL25246703 0.75 ALDH1A1 (0.84) ALDH1A1GLAIGLV6-57L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230701-A1 4-STYRYL COUMARINS DERIVATIVES AS FLUORESCENT LABELS FOR BIOMOLECULES Universidade de Évora (PT) 2023-08-23 — — EP disclosed
US-6143434-A HIGH LUMINANCE AND A HIGH LUMINESCENT EFFICIENCY AT A LOW DRIVING VOLTAGE AND HAS EXCELLENT STABILITY IN REPETITIONS OF USE FUJI PHOTO FILM CO., LTD. (JP) 2000-11-07 — — US disclosed
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