SCHEMBL28035894

SCHEMBL28035894

O=C(Nc1ccccc1I)c1cccnc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 6/20 0.59
HTT P42858 4/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 2/20 0.56
KDR P35968 1/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.52
PABPC1 P11940 1/20 0.52
EIF4H Q15056 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
MDM4 O15151 1/20 0.49
MITF O75030 1/20 0.49
MDM2 Q00987 1/20 0.49

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
SCHEMBL8299753 0.87 TDP1 (0.68) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL29777391 0.86 SMN1; SMN2 (0.68) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL29777389 0.86 SMN1; SMN2 (0.68) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL975125 0.86 SMN1; SMN2 (0.68) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL1367306 0.85 TDP1 (0.65) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL971803 0.84 TDP1 (0.64) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL9844353 0.83 TDP1 (0.63) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL7852351 0.81 TDP1 (0.61) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL21828979 0.81 KDM4E (0.65) TDP1GAASMN1; SMN2HTTHPGD
SCHEMBL8074225 0.81 TDP1 (0.85) TDP1GAASMN1; SMN2HTTHPGD

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-110644102-A Processing technology of wear-resistant yarn 徐州锦业纺织科技有限公司 2020-01-03 CN claimed
CN-109232411-B Method for preparing boscalid 广东广康生化科技股份有限公司 2021-10-01 CN disclosed
CN-110644102-A Processing technology of wear-resistant yarn 徐州锦业纺织科技有限公司 2020-01-03 CN disclosed
CN-105085389-A Preparation method of boscalid LIMIN CHEMICAL CO LTD 2015-11-25 CN disclosed