SCHEMBL9050328

SCHEMBL9050328

CCOC(=O)Cn1c(=O)c2cc(Cl)ccc2n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
P2RX3 P56373 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL9057858 0.94 POLB (0.57) TSHRPOLBKDM4EMEN1KMT2A
SCHEMBL10048213 0.85 POLB (0.53) TSHRPOLBMAPTKDM4EMEN1
SCHEMBL9049803 0.85 HDAC1 (0.53) TSHRMAPTKDM4EKMT2AHDAC1
SCHEMBL9049818 0.83 KMT2A (0.59) TSHRPOLBL3MBTL1MAPTKDM4E
SCHEMBL9046143 0.82 AKR1A1 (0.59) TSHRPOLBMAPTKDM4EMEN1
SCHEMBL9047400 0.80 GAA (0.54) TSHRPOLBL3MBTL1MAPTKDM4E
SCHEMBL9050221 0.79 LMNA (0.53) TSHRPOLBMAPTKDM4EMEN1
SCHEMBL10487906 0.79 AKR1A1 (0.65) TSHRPOLBMAPTKDM4EMEN1
SCHEMBL10487940 0.78 ALDH1A1 (0.62) TSHRPOLBL3MBTL1MAPTKDM4E
SCHEMBL11266458 0.78 ALDH1A1 (0.57) TSHRPOLBMAPTKDM4EMEN1

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