SCHEMBL24701867

SCHEMBL24701867

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)ccc3n2C)nc2n1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TP53 P04637 4/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTR1D P28221 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
SCHEMBL19888434 0.84 MEN1 (0.37) MEN1KMT2ATP53
SCHEMBL24701905 0.84 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1
SCHEMBL19888456 0.80 MEN1 (0.55) MEN1KMT2APIK3CAPIK3CBPIK3CG
SCHEMBL19888437 0.80 MEN1 (0.33) MEN1KMT2A
SCHEMBL24701750 0.79 MEN1 (0.34) MEN1KMT2A
SCHEMBL19888460 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL19888457 0.78 MEN1 (0.57) MEN1KMT2APIK3CAPIK3CBPIK3CG
SCHEMBL24702106 0.77 MEN1 (0.31) MEN1KMT2A
SCHEMBL19888490 0.77 MEN1 (0.31) MEN1KMT2A
SCHEMBL19888475 0.76 MEN1 (0.36) MEN1KMT2A

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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