SCHEMBL9831480

SCHEMBL9831480

CCOC(=O)CCOC(=O)CNc1c(F)cc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NLRP3 Q96P20 2/20 0.38
SYK P43405 1/20 0.38
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TOP2A P11388 1/20 0.36
CYP1A2 P05177 2/20 0.36
BRD4 O60885 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9829162 0.82 TOP2A (0.51) POLBNLRP3LMNATOP2ACYP1A2
SCHEMBL9832748 0.81 POLB (0.46) POLBL3MBTL1NLRP3SYKLMNA
SCHEMBL9831819 0.81 LMNA (0.41) POLBL3MBTL1NLRP3SYKLMNA
SCHEMBL18451634 0.78 GAA (0.39) NLRP3LMNASMN1; SMN2GAAMEN1
SCHEMBL9832125 0.78 ABCB1 (0.47) POLBL3MBTL1NLRP3SMN1; SMN2TOP2A
SCHEMBL9832469 0.78 MAPT (0.42) POLBL3MBTL1LMNASMN1; SMN2TOP2A
SCHEMBL9831031 0.72 POLB (0.43) POLBL3MBTL1LMNASMN1; SMN2CYP1A2
SCHEMBL9830011 0.72 L3MBTL1 (0.43) POLBL3MBTL1NLRP3LMNASMN1; SMN2
SCHEMBL9829371 0.72 L3MBTL1 (0.43) POLBL3MBTL1NLRP3LMNASMN1; SMN2
SCHEMBL9829791 0.72 LMNA (0.41) POLBL3MBTL1NLRP3LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed