SCHEMBL12658592

SCHEMBL12658592

O=C(CCNc1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)c1F)NO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 8/20 0.36
F2R P25116 6/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
EGFR P00533 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL1843056 0.91 ALDH1A1 (0.41) RXFP1F2RSMN1; SMN2MAPTP2RX1
SCHEMBL1844085 0.90 RXFP1 (0.36) RXFP1F2RSMN1; SMN2P2RX1P2RX7
SCHEMBL1845462 0.88 RXFP1 (0.36) RXFP1F2R
SCHEMBL25085545 0.85 RXFP1 (0.36) RXFP1F2RSMN1; SMN2P2RX1P2RX7
SCHEMBL1842658 0.84 RXFP1 (0.37) RXFP1F2RSMN1; SMN2LMNAGAA
SCHEMBL1845093 0.84 SMN1; SMN2 (0.38) RXFP1F2RHDAC3HDAC1SMN1; SMN2
SCHEMBL23059687 0.83 DHODH (0.37) RXFP1F2RSMN1; SMN2P2RX1P2RX7
SCHEMBL23059688 0.83 DHODH (0.39) RXFP1F2RSMN1; SMN2
SCHEMBL25085575 0.83 DHODH (0.36) RXFP1F2RSMN1; SMN2P2RX1P2RX7
SCHEMBL23053059 0.82 RXFP1 (0.47) RXFP1SMN1; SMN2

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-2325165-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2011-05-25 EP disclosed