SCHEMBL28129702

SCHEMBL28129702

CP(C)C.Cc1cccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PLAU P00749 1/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
CYP2A6 P11509 1/20 0.38
RPS6KA5 O75582 2/20 0.38
EGFR P00533 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSP90AA1 P07900 1/20 0.37
POLB P06746 1/20 0.37
GRM5 P41594 1/20 0.37
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL30376246 0.93
SCHEMBL14127194 0.93
SCHEMBL94685 0.93
Iodide SCHEMBL8994339 0.91
Hydrochloric Acid SCHEMBL2835768 0.91
Hydrochloric Acid SCHEMBL29992477 0.91
Cyanide SCHEMBL27951315 0.86 NOS3 (0.46) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL28293088 0.83 NOS3 (0.43) NOS3NOS1NOS2LMNASMN1; SMN2
Acetic Acid SCHEMBL28149547 0.81 LMNA (0.55) NOS3NOS1NOS2LMNASMN1; SMN2
Formic Acid SCHEMBL27896714 0.81 LMNA (0.46) NOS3NOS1NOS2LMNASMN1; SMN2

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-105008459-B The manufacture method of polylactic acid resin composition, formed body and polylactic acid resin composition 东丽株式会社 2017-03-08 CN disclosed