SCHEMBL8365239

SCHEMBL8365239

CCN(CC)C(=O)C(OC(=O)C(F)(F)F)n1cc(-c2nc3ccccc3n(CCNC)c2=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NAMPT P43490 1/20 0.35
OPRK1 P41145 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
USP2 O75604 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
HBB P68871 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HIF1A Q16665 2/20 0.33
MAPK1 P28482 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL8516687 0.91 USP2 (0.33) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL8365258 0.91 ALDH1A1 (0.37) MAPTNAMPTALDH1A1KDM4EMEN1
SCHEMBL8516861 0.89 ALDH1A1 (0.36) ALDH1A1USP2CYP1A2CYP3A4CYP2C9
SCHEMBL8368692 0.88 MAPT (0.35) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL8365344 0.88 ATM (0.39) MAPTNAMPTALDH1A1KDM4EPOLB
SCHEMBL8365244 0.85 CYP1A2 (0.34) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8516080 0.82 USP2 (0.35) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8517321 0.82 BRD4 (0.42) ALDH1A1LMNAHIF1AGHSR
SCHEMBL8517087 0.81 USP2 (0.34) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL8516090 0.81 CYP1A2 (0.39) OPRK1ALDH1A1MEN1KMT2AUSP2

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed