SCHEMBL19712466

SCHEMBL19712466

Cc1cc(-c2ccn3c(=O)c(OC(=O)O)cc(C4CC4)c3c2C)cnc1N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CA P42336 5/20 0.34
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
GRIN2B Q13224 1/20 0.31
MTOR P42345 2/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL19712469 0.90 ALOX5AP (0.37) PIK3CATRPC6MTOR
SCHEMBL19712457 0.90 ALOX5AP (0.34) PIK3CAMTOR
SCHEMBL19712467 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12502021 0.86 KDM4E (0.38) KDM4ENPC1ALDH1A1GLAPOLB
SCHEMBL19712500 0.85 PIK3CA (0.31) PIK3CA
SCHEMBL19712473 0.84 MAT2A (0.34) PIK3CAMTOR
SCHEMBL12502311 0.84 PIK3CA (0.36) KDM4ENPC1ALDH1A1GLAPOLB
SCHEMBL19712460 0.83
Potassium Ion SCHEMBL12501963 0.83 PIK3CA (0.34) KDM4ENPC1ALDH1A1GLAPOLB
SCHEMBL19712468 0.82 MAOA (0.34) KDM4EALDH1A1PIK3CA

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