SCHEMBL9048660

SCHEMBL9048660

O=C(O)Cn1c(=O)c2cc(F)c(-c3ncc[nH]3)cc2n(Cc2ccc(Cl)cc2Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 1/20 0.49
AKR1B1 P15121 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGDR2 Q9Y5Y4 7/20 0.38
PTGS1 P23219 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RHEB Q15382 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 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
SCHEMBL9047688 0.89 SMN1; SMN2 (0.45) AKR1A1AKR1B1MEN1KMT2ALMNA
SCHEMBL9048519 0.85 CCR2 (0.42) AKR1A1AKR1B1PTGDR2RHEB
SCHEMBL9049795 0.82 HDAC1 (0.41) AKR1B1PTGDR2SMN1; SMN2MAPT
SCHEMBL9047096 0.78 KMT2A (0.55) AKR1A1AKR1B1MEN1KMT2APTGDR2
SCHEMBL9047610 0.74 MEN1 (0.44) MEN1KMT2APTGDR2LMNASMN1; SMN2
SCHEMBL9047397 0.72 NR4A2 (0.48) AKR1A1AKR1B1MEN1KMT2APTGDR2
SCHEMBL11269563 0.70 LMNA (0.62) AKR1A1AKR1B1MEN1KMT2APTGDR2
SCHEMBL9056716 0.70 AKR1B1 (0.78) AKR1A1AKR1B1MEN1KMT2APTGDR2
SCHEMBL10488016 0.70 AKR1A1 (0.60) AKR1A1AKR1B1MEN1KMT2ALMNA
SCHEMBL9047901 0.69 LMNA (0.52) AKR1A1AKR1B1MEN1KMT2ALMNA

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