SCHEMBL8513394

SCHEMBL8513394

NC(=O)NCc1cccc(CNC(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.59
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
PKM P14618 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
POLB P06746 3/20 0.50
AOC3 Q16853 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NOS2 P35228 1/20 0.48
ESR1 P03372 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7041171 0.92 CYP2C9 (0.58) RECQLCYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL8191596 0.91 RECQL (0.51) RECQLCYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL15651019 0.88 RECQL (0.53) RECQLCYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL358332 0.88 CYP1A2 (0.61) RECQLCYP2C9CYP2C19ALDH1A1PKM
SCHEMBL20041617 0.88 RECQL (0.49) RECQLCYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL8191007 0.88 RECQL (0.49) RECQLCYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL626329 0.87 CYP2C9 (0.62) RECQLCYP2C9CYP2C19MEN1KMT2A
SCHEMBL31173724 0.87 SRC (0.56) RECQLPOLB
SCHEMBL30005873 0.87 F10 (0.59) RECQLCYP2C9CYP2C19
SCHEMBL5527522 0.87 KDM4E (0.61) RECQLCYP2C9CYP2C19ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457940-B1 Fluorinated supramolecular polymers SUPRAPOLIX BV (NL) 2018-10-24 EP disclosed
US-9670148-B2 Method for producing meta-xylylenediisocyanates MITSUI CHEMICALS, INC. (JP) 2017-06-06 US disclosed
US-8969510-B2 Fluorinated supramolecular polymers SUPRAPOLIX B.V. (NL) 2015-03-03 US disclosed
US-20120136120-A1 FLUORINATED SUPRAMOLECULAR POLYMERS SUPRAPOLIX B.V. 2012-05-31 US disclosed
EP-2457940-A1 Fluorinated supramolecular polymers SupraPolix B.V. (NL) 2012-05-30 EP disclosed