SCHEMBL7921178

SCHEMBL7921178

Nc1ncccc1C(=O)c1cccc(OCCCF)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NAPRT Q6XQN6 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRSS1 P07477 8/20 0.42
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3243843 0.83 KMT2A (0.42) KMT2AMEN1CYP2C19PRSS1KDM4E
SCHEMBL8569592 0.81 CDK5 (0.53) KMT2AMEN1NAPRTKDM4EALDH1A1
SCHEMBL3243431 0.74 KMT2A (0.69) KMT2APRSS1
SCHEMBL3245441 0.73 KMT2A (0.50) KMT2APRSS1
SCHEMBL4851229 0.72 NAPRT (0.67) KMT2AMEN1NAPRTMAPK14KDM4E
SCHEMBL30114893 0.72 NAPRT (0.67) KMT2AMEN1NAPRTMAPK14KDM4E
SCHEMBL28693694 0.71 KMT2A (0.69) KMT2APRSS1
SCHEMBL3248740 0.71 MRGPRX4 (0.56) KMT2ACYP2C19ALDH1A1MAPT
SCHEMBL8198020 0.70 NAPRT (0.73) NAPRTKDM4EALDH1A1MAPTALOX15
SCHEMBL3243548 0.70 PPARG (0.41) KMT2AMEN1KDM4EALDH1A1MAPT

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
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed