SCHEMBL19174367

SCHEMBL19174367

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc2n1CCC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ QRFPR Q96P65 1/20 0.32
▸ KCNH2 Q12809 1/20 0.30
▸ RORC P51449 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
SCHEMBL29683610 0.97 MEN1 (0.38) MEN1KMT2AQRFPRRORC
SCHEMBL19876675 0.97 MEN1 (0.38) MEN1KMT2AQRFPRRORC
SCHEMBL19888454 0.90 MEN1 (0.34) MEN1KMT2A
SCHEMBL19888476 0.90 MEN1 (0.36) MEN1KMT2AQRFPR
SCHEMBL19888482 0.90 QRFPR (0.30) QRFPR
SCHEMBL19888420 0.86 KCNH2 (0.31) KCNH2
SCHEMBL19888472 0.86 RORC (0.32) RORC
SCHEMBL19888468 0.85 RORC (0.32) RORC
SCHEMBL19888493 0.85 RORC (0.31) RORC
SCHEMBL19888469 0.85 DPP4 (0.32) RORC

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-2017125340-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 — — WO disclosed
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