SCHEMBL19936593

SCHEMBL19936593

CCN/C=C1/C=CC(COC(=O)Nc2cc(-c3ccc(Cl)cc3OC)nn2CC)=CC1=N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PTGER1 P34995 2/20 0.31
LMNA P02545 2/20 0.31
CNR1 P21554 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 2/20 0.30
ADORA3 P0DMS8 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
SCHEMBL19936538 0.93 MAPK1 (0.37) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL19936555 0.87 MAPK1 (0.35) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL19936464 0.78 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL19936596 0.78 MAPK1 (0.33) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL19936587 0.77 SMN1; SMN2 (0.34) POLBCYP1A2MAPTCYP2C9SMN1; SMN2
SCHEMBL14819784 0.72 MAPK1 (0.41) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14819570 0.72 MAPK1 (0.39) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14819771 0.71 NPC1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14819776 0.71 CACNA1H (0.43) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14819582 0.71 TP53 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10

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
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed