SCHEMBL8718776

SCHEMBL8718776

CC1CCN(NC(O)=S)CC1.NC(O)=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 2/20 0.37
ALDH1A1 P00352 5/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
GAA P10253 1/20 0.31
CA12 O43570 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
SCHEMBL8723713 0.78 GAA (0.38) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL28288402 0.78 PHGDH (0.41) PHGDHMGLLPOLBALDH1A1HPGD
SCHEMBL3066005 0.76 HTT (0.35) ALDH1A1HPGDCYP1A2MAPTCYP2C9
SCHEMBL8718774 0.75 PHGDH (0.42) PHGDHMGLLPOLBALDH1A1HPGD
SCHEMBL9714625 0.74 KDM4E (0.36) PHGDHMGLLCYP2C19GAA
SCHEMBL3074878 0.74 HTT (0.38) PHGDHMGLLALDH1A1CYP1A2CYP2C19
SCHEMBL7758216 0.74 HTT (0.34) HTTCA1CA2CA12CA9
Ammonia Solution, Strong SCHEMBL28405557 0.74 HTT (0.34) ALDH1A1HPGDMAPTSMN1; SMN2HTT
SCHEMBL30199556 0.73 CA2 (0.53) PHGDHMGLLPOLBALDH1A1HPGD
Selenium SCHEMBL30199362 0.73 PHGDH (0.41) PHGDHMGLLPOLBALDH1A1HPGD

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
CN-115716819-A Rubber multifunctional additive 4-methylpiperidinyl dithiocarbamic acid mercaptobenzimidazole selenium and preparation method and application thereof 华南理工大学 2023-02-28 CN disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed