SCHEMBL7977550

SCHEMBL7977550

COC(=O)c1c(C)nc2c(c1-c1cccc(F)c1F)C(=O)OC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AKT1 P31749 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP2 O95551 1/20 0.34
BDKRB1 P46663 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
JAK2 O60674 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PLA2G2A P14555 1/20 0.33
POLB P06746 1/20 0.33
CHRM3 P20309 1/20 0.32

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
SCHEMBL7984066 0.84 POLB (0.44) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL11006059 0.79 SMN1; SMN2 (0.39) NR3C2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7983845 0.76 LMNA (0.50) SMN1; SMN2KDM4ENPC1RAB9AMEN1
SCHEMBL11015788 0.75 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EPDE3BPDE3ANPC1
SCHEMBL11009673 0.73 ALDH1A1 (0.55) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8600882 0.72 CACNB4 (0.43) SMN1; SMN2KDM4ENPC1RAB9AMEN1
SCHEMBL10730613 0.72 SMN1; SMN2 (0.52) NR3C2SMN1; SMN2AKT1KDM4ENPC1
SCHEMBL8805653 0.68 CYP1A2 (0.46) SMN1; SMN2KDM4ENPC1RAB9AMEN1
SCHEMBL10748490 0.67 TDP2 (0.38) SMN1; SMN2KDM4ENPC1RAB9AMEN1
SCHEMBL7979537 0.67 POLB (0.44) NR3C2SMN1; SMN2KDM4EMEN1KMT2A

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-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US claimed