SCHEMBL9047460

SCHEMBL9047460

CCc1c(OC)ccc2c1c(=O)n(CC(=O)O)c(=O)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 6/20 0.41
RXFP1 Q9HBX9 4/20 0.40
TP53 P04637 3/20 0.40
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
S1PR2 O95136 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
GAA P10253 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
SCHEMBL9048106 0.82 MEN1 (0.55) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9051082 0.78 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAAKR1A1
SCHEMBL9047096 0.77 KMT2A (0.55) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9057868 0.77 KMT2A (0.49) MEN1KMT2ALMNAAKR1B1PTGDR2
SCHEMBL9048800 0.75 LMNA (0.51) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9046149 0.74 AKR1B1 (0.59) MEN1KMT2AMAPTAKR1A1AKR1B1
SCHEMBL11269563 0.73 LMNA (0.62) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9050224 0.72 LMNA (0.42) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9047397 0.72 NR4A2 (0.48) MEN1KMT2ASMN1; SMN2LMNAAKR1A1
SCHEMBL9050331 0.71 PTGDR2 (0.42) MEN1KMT2ATP53AKR1B1PTGDR2

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