SCHEMBL30359552

SCHEMBL30359552

[2H]COc1ccc(CCl)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NNMT P40261 2/20 0.37
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.33
KDR P35968 2/20 0.33
DAO P14920 1/20 0.33
TEK Q02763 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 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
SCHEMBL30359560 0.89 NNMT (0.47) MEN1KMT2AKDM4EMAPTNNMT
SCHEMBL22041870 0.89 NNMT (0.47) MEN1KMT2AKDM4EMAPTNNMT
SCHEMBL30359558 0.89 NNMT (0.47) MEN1KMT2AKDM4EMAPTNNMT
SCHEMBL30359553 0.87 KDM4E (0.36) MEN1KMT2AKDM4EMAPTNNMT
SCHEMBL29974797 0.86 MEN1 (0.47) MEN1KMT2AKDM4EMAPTNNMT
SCHEMBL248031 0.86 MEN1 (0.47) MEN1KMT2AKDM4EMAPTNNMT
Hydrochloric Acid SCHEMBL31459134 0.85 MEN1 (0.46) MEN1KMT2AKDM4EMAPTNNMT
Hydrochloric Acid SCHEMBL2307128 0.85 MEN1 (0.46) MEN1KMT2AKDM4EMAPTNNMT
SCHEMBL1845243 0.77 MAPT (0.49) MAPT
SCHEMBL22041907 0.76 NNMT (0.46) MEN1KMT2AKDM4EMAPTNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285886-B Substituted pyrazolo [1,5-a ] pyridine compounds, compositions comprising the same and uses thereof 深圳市塔吉瑞生物医药有限公司 2023-04-11 CN disclosed