SCHEMBL19712468

SCHEMBL19712468

Cc1c(-c2cccc(N)c2)ccn2c(=O)c(OC(=O)O)cc(C3CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRM3 P20309 5/20 0.33
TUBB4A P04350 5/20 0.32
TUBB P07437 5/20 0.32
TUBA3C P0DPH7 5/20 0.32
TUBA1B P68363 5/20 0.32
TUBA4A P68366 5/20 0.32
TUBB4B P68371 5/20 0.32
TUBB3 Q13509 5/20 0.32
TUBB2A Q13885 5/20 0.32
TUBB8 Q3ZCM7 5/20 0.32
TUBA3E Q6PEY2 5/20 0.32
TUBA1A Q71U36 5/20 0.32

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
SCHEMBL19712500 0.89 PIK3CA (0.31) MAOAMAOBPIK3CA
SCHEMBL19712462 0.87 BRD4 (0.35) BRD4
SCHEMBL19712467 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19712471 0.86 CHRM3 (0.33) CHRM3
SCHEMBL1289976 0.85 MCL1 (0.37) MAOABRD4KDM4EALDH1A1MAPT
SCHEMBL19712486 0.85 PIK3CA (0.35) KDM4EALDH1A1MAPTHPGDPIK3CA
SCHEMBL19712472 0.85 BRD4 (0.35) BRD4PIK3CA
SCHEMBL19712470 0.85 PIK3CA (0.34) PIK3CA
SCHEMBL19712469 0.85 ALOX5AP (0.37) BRD4PIK3CA
SCHEMBL19712489 0.85 FFAR4 (0.31) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670410-B1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2017-12-20 EP claimed