SCHEMBL7981974

SCHEMBL7981974

O=C(Cl)c1cc(C(F)(F)F)c2cc(C(=O)Cl)cc(C(F)(F)F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNE1 P15382 2/20 0.37
KCNQ1 P51787 2/20 0.37
CES2 O00748 5/20 0.35
MCL1 Q07820 1/20 0.34
KDR P35968 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL816784 0.83 CES2 (0.35) KCNQ3KCNQ2KCNE1KCNQ1CES2
SCHEMBL7721527 0.80 RXRA (0.41) CES2MAPTLMNAASPHLDHA
Hydrochloric Acid SCHEMBL7981979 0.78 RXRA (0.40) MAPTMEN1LMNAKMT2ANOTUM
SCHEMBL31542017 0.77 NOTUM (0.42) KCNQ3KCNQ2KCNE1KCNQ1CES2
SCHEMBL2680326 0.77 NOTUM (0.42) KCNQ3KCNQ2KCNE1KCNQ1CES2
SCHEMBL278277 0.75 GLA (0.45) KCNQ3KCNQ2KCNE1KCNQ1CES2
SCHEMBL30892335 0.75 GLA (0.45) KCNQ3KCNQ2KCNE1KCNQ1CES2
SCHEMBL5165740 0.75 ADRB2 (0.41) KDRCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL11632983 0.75 GSK3B (0.42) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL1794695 0.74 KDR (0.54) KDRMAPTMEN1LMNAKMT2A

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
US-6297351-B1 EXCELLENT IN ELECTRIC CHARACTERISTICS AND HEAT RESISTANCE, PRECURSOR FROM A DICARBOXYLIC ACID AND A BISAMINOPHENOL COMPOUND OR A DIAMINODIHYDROXY SUMITOMO BAKELITE COMPANY LIMITED (JP) 2001-10-02 US disclosed