SCHEMBL20040893

SCHEMBL20040893

CC(C)Oc1cc(NC=O)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
KMT2A Q03164 1/20 0.41
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TMPRSS4 Q9NRS4 2/20 0.36
CNR1 P21554 1/20 0.35
ALDH1A3 P47895 1/20 0.34
P2RX1 P51575 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL5457585 0.83 HDAC3 (0.47) MAPTTMPRSS4P2RX1HDAC3HDAC1
SCHEMBL15693713 0.78 FFAR4 (0.42) MAPTALDH1A1MEN1GAAALOX12
SCHEMBL131766 0.78 MAPT (0.46) MAPTALDH1A1MEN1KMT2ARXFP1
SCHEMBL20040903 0.74 MAPT (0.43) MAPTALDH1A1MEN1KMT2ARXFP1
SCHEMBL16729395 0.72 KMT2A (0.50) MAPTALDH1A1MEN1GAAALOX12
SCHEMBL11955180 0.72 FFAR4 (0.39) MAPTALDH1A1MEN1GAAALOX12
SCHEMBL18860247 0.72 HDAC3 (0.42) MAPTALDH1A1RXFP1TMPRSS4P2RX1
SCHEMBL2092157 0.71 PLAU (0.50) ALDH1A1MEN1GAAALOX12KMT2A
SCHEMBL1336292 0.71 PARP10 (0.51) MAPTALDH1A1MEN1GAAALOX12
SCHEMBL16907615 0.71 ALDH1A1 (0.62) MAPTALDH1A1MEN1GAAALOX12

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-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed