SCHEMBL28452865

SCHEMBL28452865

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(F)(F)F)CC12CCN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PDE4B Q07343 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TACR1 P25103 1/20 0.40
NAMPT P43490 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CTSL P07711 1/20 0.39
STS P08842 1/20 0.39
P2RY1 P47900 1/20 0.39

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
SCHEMBL18330207 1.00 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29364160 0.89 SMN1; SMN2 (0.47) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8326625 0.89 SMN1; SMN2 (0.47) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL18860228 0.89 SMN1; SMN2 (0.47) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL25046303 0.83 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29467496 0.83 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29455941 0.83 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL6947042 0.83 PDE4B (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29467502 0.82 KDM1A (0.51) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL20337417 0.81 BTK (0.34) KMT2AMEN1

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-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 CN disclosed
CN-112625028-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2021-04-09 CN disclosed
CN-107922388-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-12-29 CN disclosed
CN-107787323-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-09-01 CN disclosed