SCHEMBL7750833

SCHEMBL7750833

O=C=NCc1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.46
NAAA Q02083 1/20 0.40
TRAP1 Q12931 5/20 0.38
HSP90B1 P14625 3/20 0.38
HSP90AA1 P07900 2/20 0.38
AKR1B1 P15121 2/20 0.38
PDPK1 O15530 1/20 0.38
DGAT1 O75907 1/20 0.37
HSP90AB1 P08238 1/20 0.36
CHRM5 P08912 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM1A O60341 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
SCHEMBL2106707 0.82 NAAA (0.49) PYCR1NAAATRAP1HSP90B1HSP90AA1
SCHEMBL1647830 0.81 IDO1 (0.44) P2RX7
SCHEMBL29226224 0.79 BACE1 (0.38) PYCR1
SCHEMBL1768047 0.77 PYCR1 (0.47) PYCR1NAAATRAP1HSP90B1HSP90AA1
SCHEMBL6773244 0.76 PYCR1 (0.38) PYCR1
SCHEMBL28636567 0.76 GABRA1 (0.33)
SCHEMBL1649587 0.75 DPP4 (0.34)
SCHEMBL6049 0.73 TAAR1 (0.43)
SCHEMBL2094594 0.72 PYCR1 (0.46) PYCR1NAAATRAP1HSP90B1HSP90AA1
SCHEMBL1310479 0.72 PYCR1 (0.50) PYCR1NAAATRAP1HSP90B1AKR1B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712849-B1 Process of preparation of substituted quinazolin-2,4-diones CLARIANT GMBH (DE) 2001-01-17 EP claimed
US-5710319-A Process for the preparation of substituted quinazoline-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US claimed
EP-0712849-A2 Process of preparation of substituted quinazolin-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-22 EP claimed
JP-8253458-A None JP disclosed
EP-0712849-B1 Process of preparation of substituted quinazolin-2,4-diones CLARIANT GMBH (DE) 2001-01-17 EP disclosed
US-5710319-A Process for the preparation of substituted quinazoline-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
JP-H08253458-A PRODUCTION OF SUBSTITUTED QUINAZOLINE-2,4-DIONE HOECHST AG 1996-10-01 JP disclosed
EP-0712849-A2 Process of preparation of substituted quinazolin-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-22 EP disclosed