SCHEMBL23628259

SCHEMBL23628259

Clc1ccccc1Nc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)C1C3

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
ACVRL1 P37023 1/20 0.35
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
PDK2 Q15119 1/20 0.32
P2RX7 Q99572 2/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23628238 0.90 MAPK14 (0.41) MAPK14ACVRL1MAPK8MAPK10PDK2
SCHEMBL22797215 0.83 MEN1 (0.36) MEN1KMT2A
SCHEMBL22797441 0.82 PDK2 (0.40) PDK2
SCHEMBL23628260 0.82 MAPK14 (0.36) MAPK14ACVRL1MAPK8MAPK10PDK2
SCHEMBL23625979 0.80 PDK2 (0.40) PDK2
SCHEMBL22797306 0.80 PDK2 (0.43) PDK2
SCHEMBL23959613 0.79 MEN1 (0.33) PDK2MEN1KMT2A
SCHEMBL24627027 0.78 MAPK14 (0.34) MAPK14PDK2
SCHEMBL24627068 0.77 MAPK14 (0.39) MAPK14ACVRL1MAPK8MAPK10PDK2
SCHEMBL24728606 0.76 SIGMAR1 (0.36) MAPK14MAPK10PDK2P2RX7

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
WO-2021135456-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed