SCHEMBL18190866

SCHEMBL18190866

O=C(CNC(=O)[C@@H]([AsH2])COCc1ccccc1)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.56
ACP1 P24666 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
DYRK1A Q13627 1/20 0.52
WNT3A P56704 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL18154386 0.90 CSNK1D (0.56) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL18154205 0.90 CSNK1D (0.56) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL18154206 0.90 CSNK1D (0.56) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL19852785 0.85 CSNK1D (0.54) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL18154189 0.85 CSNK1D (0.54) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL18154191 0.85 CSNK1D (0.54) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL18154214 0.83 CSNK1D (0.59) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL18154211 0.83 CSNK1D (0.59) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL31442476 0.83 CSNK1D (0.59) CSNK1DACP1HDAC3HDAC4HDAC1
SCHEMBL16445697 0.83 ACP1 (0.61) CSNK1DACP1HDAC3HDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed