SCHEMBL8409240

SCHEMBL8409240

Cc1cccn1Cc1ccc(Sc2cc(F)cc(NC(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAP4K4 O95819 1/20 0.39
CCR3 P51677 1/20 0.38
CNR2 P34972 2/20 0.38
F10 P00742 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
EPHX2 P34913 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CNR1 P21554 1/20 0.37
P2RX3 P56373 2/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
ACKR3 P25106 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGER1 P34995 1/20 0.36
TP53 P04637 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
SCHEMBL8410817 0.85 MAP4K4 (0.41) MAPK8MAPK10MAPK14MAP4K4EPHX2
SCHEMBL8409058 0.76 ALOX5 (0.47) MAPK8MAPK10MAPK14MAP4K4ALOX5
SCHEMBL8179368 0.74 ALOX5 (0.60) CNR2CNR1ALOX5TP53MAPT
SCHEMBL332276 0.70 MAP4K4 (0.56) MAPK8MAPK10MAPK14MAP4K4HDAC3
SCHEMBL15587796 0.69 NPSR1 (0.59) MAPK8MAPK10MAPK14MAP4K4HDAC3
SCHEMBL19015883 0.69 SMN1; SMN2 (0.50) MAPK8MAPK10MAPK14MAP4K4F10
SCHEMBL28872344 0.66 SMN1; SMN2 (0.56) MAPK8MAPK10MAPK14MAP4K4F10
SCHEMBL8410878 0.66 MAP4K4 (0.52) MAPK8MAPK10MAPK14MAP4K4HDAC3
SCHEMBL6438927 0.65 ALOX5 (0.57) MAPK8MAPK10MAPK14MAP4K4SIRT2
SCHEMBL17896325 0.65 MAP4K4 (0.48) MAPK8MAPK10MAPK14MAP4K4HDAC3

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
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed