SCHEMBL2899405

SCHEMBL2899405

O=C(O)c1c(F)nc2ccc(N3CCOCC3)cc2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NPC1 O15118 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PRKDC P78527 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
TDO2 P48775 1/20 0.47
IDO2 Q6ZQW0 1/20 0.47
KMO O15229 1/20 0.45

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
SCHEMBL24532111 0.78 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL29680909 0.78 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL29681544 0.72 KMT2A (0.63) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL18394788 0.72 KMO (0.51) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL30689227 0.72 PRKDC (0.56) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL18394573 0.72 PRKDC (0.56) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL29681119 0.71 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL24532295 0.71 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2899403 0.71 MAPT (0.48) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL29125442 0.70 KMT2A (0.57) MEN1KMT2AKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166852-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-31 EP disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed