SCHEMBL9048946

SCHEMBL9048946

CCOC(=O)Cn1c(=O)c2cc(F)c(-c3ncc[nH]3)cc2n(Cc2ccc(C(F)(F)F)cc2)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
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 2/20 0.37
PPARG P37231 1/20 0.37
LMNA P02545 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL9047610 0.89 MEN1 (0.44) MEN1KMT2AADORA3TSHRPOLB
SCHEMBL9049795 0.88 HDAC1 (0.41) MAPTTHRBHPGDSMN1; SMN2HDAC1
SCHEMBL9047688 0.83 SMN1; SMN2 (0.45) MEN1KMT2AADORA3TSHRPOLB
SCHEMBL9048519 0.77 CCR2 (0.42) PTGDR2
SCHEMBL9049224 0.74 MEN1 (0.39) MEN1KMT2AGRIN1GRIN2BTSHR
SCHEMBL9049151 0.72 MEN1 (0.46) MEN1KMT2AADORA3TSHRPOLB
SCHEMBL9048660 0.71 AKR1A1 (0.49) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL9050328 0.69 TSHR (0.51) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL9057858 0.68 POLB (0.57) MEN1KMT2AADORA3TSHRPOLB
SCHEMBL10487890 0.68 MEN1 (0.47) MEN1KMT2AGRIN1GRIN2BTSHR

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