SCHEMBL21994599

SCHEMBL21994599

C[C](F)c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TSHR P16473 2/20 0.54
CASP1 P29466 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GABRA1 P14867 6/20 0.53
GABRG2 P18507 6/20 0.53
GABRB3 P28472 6/20 0.53
GABRB2 P47870 4/20 0.53
GABRB1 P18505 2/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8760668 0.81 MEN1 (0.63) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL322161 0.77 TSHR (0.65) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL29384783 0.77 TSHR (0.65) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL13689698 0.77 MEN1 (0.59) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL13412590 0.77 GABRA1 (0.63) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL12224079 0.76 GABRA1 (0.65) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL12820003 0.76 GABRA1 (0.65) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL432702 0.74 MEN1 (0.55) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL9590622 0.74 MEN1 (0.55) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL8809751 0.74 KMT2A (1.00) MEN1KMT2ATSHRCASP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO disclosed