SCHEMBL20198516

SCHEMBL20198516

NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
KDR P35968 2/20 0.61
SRPK2 P78362 1/20 0.61
SRPK1 Q96SB4 1/20 0.61
SRPK3 Q9UPE1 1/20 0.61
NPSR1 Q6W5P4 5/20 0.58
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
LMNA P02545 3/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX12 P18054 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL9424069 0.87 LMNA (0.71) MAPTSRPK1NPSR1ALDH1A1TSHR
SCHEMBL8274190 0.82 MAPT (0.70) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL12765700 0.82 KDR (0.60) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL1110612 0.80 SRPK1 (0.77) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL1110601 0.80 ALDH1A1 (0.71) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL1110549 0.80 ALDH1A1 (0.71) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL1110637 0.79 NPSR1 (0.69) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL13763653 0.79 MAPT (0.74) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL1110749 0.78 MAPT (0.53) MAPTKDRSRPK2SRPK1SRPK3
SCHEMBL12765702 0.78 ALDH1A1 (0.65) MAPTKDRSRPK2SRPK1SRPK3

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