SCHEMBL9049795

SCHEMBL9049795

O=C(O)Cn1c(=O)c2cc(F)c(-c3ncc[nH]3)cc2n(Cc2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC11 Q96DB2 1/20 0.41
PTGDR2 Q9Y5Y4 12/20 0.40
CCR9 P51686 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
MAPT P10636 2/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.88 MEN1 (0.44) HDAC1HDAC8HDAC6HDAC11PTGDR2
SCHEMBL9048519 0.88 CCR2 (0.42) PTGDR2AKR1B1
SCHEMBL9048660 0.82 AKR1A1 (0.49) PTGDR2MAPTAKR1B1SMN1; SMN2
SCHEMBL9047610 0.77 MEN1 (0.44) PTGDR2MAPTSMN1; SMN2
SCHEMBL9047688 0.71 SMN1; SMN2 (0.45) MAPTAKR1B1SMN1; SMN2
SCHEMBL9048266 0.68 PTGDR2 (0.42) PTGDR2MAPTSMN1; SMN2
SCHEMBL9049803 0.65 HDAC1 (0.53) HDAC1HDAC8HDAC6HDAC11PTGDR2
SCHEMBL29755488 0.65 MPL (0.44)
SCHEMBL18988980 0.65 MPL (0.44)
SCHEMBL10487904 0.64 AKR1B1 (0.59) HDAC1HDAC8HDAC6HDAC11PTGDR2

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