SCHEMBL27424745

SCHEMBL27424745

CC1=C(C(=O)O)C(c2c(F)cccc2Cl)C(C(=O)n2ccnc2)=C(C)N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.39
TP53 P04637 3/20 0.38
ALDH1A1 P00352 3/20 0.34
CACNA1B Q00975 2/20 0.34
KDM4E B2RXH2 1/20 0.34
WEE1 P30291 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7245462 0.84 MAPT (0.60) POLBMAPTALOX15TP53
SCHEMBL6950055 0.83 POLB (0.49) POLBMAPTALOX15TP53ALDH1A1
SCHEMBL6945801 0.80 MAPT (0.50) POLBMAPTALOX15TP53
SCHEMBL9246654 0.72 MAPT (0.62) POLBMAPTALOX15TP53ALDH1A1
SCHEMBL6945772 0.72 ALOX15 (0.68) MAPTALOX15TP53ALDH1A1CACNA1B
SCHEMBL7241732 0.71 MAPT (0.68) POLBMAPTALOX15TP53
SCHEMBL10736001 0.71 MAPT (0.44) POLBMAPTALOX15TP53ALDH1A1
SCHEMBL8912934 0.71 CYP2C9 (0.49) MAPTALOX15TP53ALDH1A1KDM4E
SCHEMBL9210940 0.67 ALOX15 (0.43) ALOX15ALDH1A1
SCHEMBL10661130 0.67 MAPT (0.40) POLBMAPTALOX15TP53ALDH1A1

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
CN-1109875-A Phenyl-substituted 1,4-dihydropyridines BAYER AG (DE) 1995-10-11 CN disclosed