SCHEMBL20198561

SCHEMBL20198561

C=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.77
SRPK1 Q96SB4 2/20 0.77
SRPK2 P78362 1/20 0.77
SRPK3 Q9UPE1 1/20 0.77
MAPT P10636 6/20 0.55
CDK4 P11802 1/20 0.54
CDK9 P50750 1/20 0.54
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TEK Q02763 4/20 0.49
LCK P06239 3/20 0.49

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
SCHEMBL21016421 0.88 KDR (0.60) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL3485927 0.87 SRPK1 (1.00) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL1110544 0.87 SRPK1 (1.00) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL1110476 0.87 SRPK1 (1.00) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL1110612 0.86 SRPK1 (0.77) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL3485920 0.86 SRPK1 (0.98) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL23196029 0.84 CDK4 (0.74) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL1110642 0.81 SRPK1 (0.80) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL8274190 0.76 MAPT (0.70) KDRSRPK1SRPK2SRPK3MAPT
SCHEMBL13540499 0.76 SRPK1 (0.79) KDRSRPK1SRPK2SRPK3ALDH1A1

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