SCHEMBL9047610

SCHEMBL9047610

CCOC(=O)Cn1c(=O)c2cc(F)c(-c3ncc[nH]3)cc2n(Cc2ccc(Cl)c(Cl)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX3 P56373 4/20 0.36
PARG Q86W56 1/20 0.35
CCR2 P41597 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
SCHEMBL9048946 0.89 MEN1 (0.44) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9048519 0.88 CCR2 (0.42) SRCPRKACAPRKACGPRKACBPTGDR2
SCHEMBL9047688 0.87 SMN1; SMN2 (0.45) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9049151 0.83 MEN1 (0.46) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9047400 0.77 GAA (0.54) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9049795 0.77 HDAC1 (0.41) MAPTSMN1; SMN2PTGDR2
SCHEMBL9050221 0.76 LMNA (0.53) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL11270422 0.75 SMN1; SMN2 (0.63) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9048660 0.74 AKR1A1 (0.49) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9049224 0.74 MEN1 (0.39) MEN1KMT2ALMNASMN1; SMN2TSHR

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
EP-0456835-B1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN SEIYAKU KK (JP) 1996-05-15 EP disclosed
US-5234928-A Inhibit platelet aggregation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0456835-A1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed