SCHEMBL9710708

SCHEMBL9710708

N#Cc1c2n(c(=O)n1-c1cc(Br)c(Cl)cc1F)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9710794 0.87 RORC (0.35) PPARGRORCALDH1A1SMN1; SMN2
SCHEMBL9710749 0.84 RORC (0.39) PPARGRORCALDH1A1
SCHEMBL9710798 0.84 PPOX (0.44) PPARGRORCALDH1A1SMN1; SMN2MAPT
SCHEMBL9711130 0.83
SCHEMBL9710809 0.83 PPOX (0.44) PPARGRORCALDH1A1SMN1; SMN2MAPT
SCHEMBL9710947 0.82 KDM4E (0.36) PPARGRORCALDH1A1SMN1; SMN2
SCHEMBL9710880 0.81 PPOX (0.38) ALDH1A1
SCHEMBL9710655 0.81 DHODH (0.34) PPARGRORC
SCHEMBL9711080 0.81 PPOX (0.45) PPARGRORCALDH1A1SMN1; SMN2MAPT
SCHEMBL9710833 0.80 PPOX (0.41)

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
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed