SCHEMBL20198496

SCHEMBL20198496

S=C(Nc1ccccc1N1CCCCC1)c1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.69
CDK9 P50750 1/20 0.69
ALDH1A1 P00352 6/20 0.57
LMNA P02545 5/20 0.57
NPSR1 Q6W5P4 5/20 0.57
MAPT P10636 4/20 0.52
HTT P42858 2/20 0.52
GAA P10253 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PIM1 P11309 3/20 0.50
PIM3 Q86V86 2/20 0.50
PIM2 Q9P1W9 1/20 0.50
CSF1R P07333 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL22700670 0.83 KMT2A (0.71) ALDH1A1LMNANPSR1MAPTGAA
SCHEMBL3485343 0.83 KMT2A (0.71) ALDH1A1LMNANPSR1MAPTGAA
SCHEMBL29407904 0.82 CDK4 (1.00) CDK4CDK9ALDH1A1LMNANPSR1
SCHEMBL12855724 0.82 CDK4 (0.74) CDK4CDK9ALDH1A1LMNANPSR1
SCHEMBL22700677 0.82 CDK4 (1.00) CDK4CDK9ALDH1A1LMNANPSR1
SCHEMBL14803325 0.82 CDK4 (1.00) CDK4CDK9ALDH1A1LMNANPSR1
SCHEMBL29407903 0.82 CDK4 (1.00) CDK4CDK9ALDH1A1LMNANPSR1
SCHEMBL12837763 0.79 CDK4 (0.73) CDK4CDK9ALDH1A1LMNANPSR1
SCHEMBL22700674 0.79 CDK4 (0.69) CDK4CDK9ALDH1A1LMNANPSR1
SCHEMBL12855735 0.79 CDK4 (0.73) CDK4CDK9ALDH1A1LMNANPSR1

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
EP-1712242-B1 METHOD OF REGULATING PHOSPHORYLATION OF SR PROTEIN AND ANTIVIRAL AGENTS COMPRISING SR PROTEIN ACTIVITY REGULATOR AS THE ACTIVE INGREDIENT HAGIWARA MASATOSHI (JP) 2018-05-30 EP disclosed