SCHEMBL7353369

SCHEMBL7353369

CC(CP(=O)(O)O)Nc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CFTR P13569 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
MMP2 P08253 2/20 0.41
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACP3 P15309 2/20 0.38
LMNA P02545 1/20 0.37
KIF11 P52732 1/20 0.36
PKM P14618 1/20 0.36
PDE2A O00408 1/20 0.35
PTGS1 P23219 2/20 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
SCHEMBL7348769 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7353745 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7181975 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL356754 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7358247 0.80 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7361203 0.79 KDM4E (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7449675 0.77 CFTR (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7358391 0.77 PLK1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL356056 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7359035 0.76 KDM4E (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
EP-0565683-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-20 EP disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed