SCHEMBL10654622

SCHEMBL10654622

O=c1c2c(c3ccc(F)cc3n1-c1ccccc1)OCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 5/20 0.46
MAPK8 P45983 4/20 0.39
MAPK9 P45984 4/20 0.39
MPI P34949 2/20 0.38
PHOSPHO1 Q8TCT1 2/20 0.38
G6PD P11413 1/20 0.38
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PMM2 O15305 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TLR9 Q9NR96 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL10655637 0.93 MAT2A (0.44) MAT2AMAPK8MAPK9MPIPHOSPHO1
SCHEMBL10658499 0.91 JAK2 (0.44) MAT2AMPIPHOSPHO1G6PDJAK2
SCHEMBL10657536 0.86 MAT2A (0.52) MAT2AMAPK8MAPK9
SCHEMBL10658461 0.85 KDM4E (0.41) MPIPHOSPHO1PMM2APOBEC3GALDH1A1
SCHEMBL10655353 0.85 KMT2A (0.43) MAPK8MAPK9ALDH1A1MEN1POLB
SCHEMBL10653966 0.83 JAK2 (0.45) MAT2AMAPK8MAPK9MPIPHOSPHO1
SCHEMBL10659031 0.83 EDNRA (0.44) MAT2AMAPK8ALDH1A1KDM4ELMNA
SCHEMBL10654557 0.81 MAT2A (0.46) MAT2AMAPK8MAPK9MPIPHOSPHO1
SCHEMBL10657575 0.79 KMT2A (0.43) MAT2AMAPK8MAPK9ALDH1A1MEN1
SCHEMBL10661206 0.79 KMT2A (0.42) ALDH1A1MEN1POLBKMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed