SCHEMBL6902571

SCHEMBL6902571

O=C(O)c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 8/20 0.59
CSNK2A1 P68400 8/20 0.59
CSNK2B P67870 1/20 0.59
SRD5A2 P31213 2/20 0.59
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
CYP2C8 P10632 1/20 0.54
NR1H4 Q96RI1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
MAP4K4 O95819 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MAPK1 P28482 2/20 0.48
MAP2K4 P45985 2/20 0.48
MAPK6 Q16659 2/20 0.48
MAPKAPK3 Q16644 1/20 0.48

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
SCHEMBL14646221 0.86 CSNK2A2 (0.76) CSNK2A2CSNK2A1CSNK2BNR1H4
SCHEMBL11599027 0.86 CSNK2A2 (0.76) CSNK2A2CSNK2A1CSNK2BNR1H4
SCHEMBL22116988 0.84 CSNK2A2 (0.59) CSNK2A2CSNK2A1CSNK2BRXRARXRB
SCHEMBL8840153 0.84 HDAC1 (0.49) CSNK2A2CSNK2A1CSNK2BSRD5A2KDM4E
SCHEMBL505133 0.82 SRD5A2 (0.77) SRD5A2RXRARXRBRXRGCYP2C8
SCHEMBL5203797 0.82 ALDH1A1 (0.51) CSNK2A2CSNK2A1KDM4EMEN1ALDH1A1
SCHEMBL17656010 0.81 CSNK2A2 (0.69) CSNK2A2CSNK2A1CSNK2BNR1H4KDM4E
SCHEMBL7218452 0.81 CSNK2A1 (0.55) CSNK2A2CSNK2A1SRD5A2RXRARXRB
Hydrochloric Acid SCHEMBL5313295 0.81 SRD5A2 (0.74) SRD5A2RXRARXRBRXRGCYP2C8
SCHEMBL78879 0.80 SRD5A2 (0.87) SRD5A2RXRARXRBRXRGCYP2C8

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-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 EP disclosed