SCHEMBL24701905

SCHEMBL24701905

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2n1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 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
SCHEMBL24701750 0.93 MEN1 (0.34) MEN1KMT2APOLB
SCHEMBL24701887 0.85 POLB (0.37) POLB
SCHEMBL24701867 0.84 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1
SCHEMBL24702085 0.83 MEN1 (0.35) MEN1KMT2A
SCHEMBL19888434 0.82 MEN1 (0.37) MEN1KMT2A
SCHEMBL19888455 0.81 POLB (0.41) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL21610532 0.80 POLB (0.45) MEN1KMT2APOLBALDH1A1
SCHEMBL24044914 0.79 POLB (0.38) POLB
SCHEMBL19888437 0.79 MEN1 (0.33) MEN1KMT2A
SCHEMBL19888452 0.79 MEN1 (0.41) MEN1KMT2APOLBHPGDLMNA

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-3497102-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2022-12-07 — — EP disclosed
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