SCHEMBL21994787

SCHEMBL21994787

[CH]1CCCc2cc(C3CCOCC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
HTR1D P28221 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX2 P34913 2/20 0.32
OPRL1 P41146 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
IKZF2 Q9UKS7 1/20 0.31
CYP11B2 P19099 1/20 0.31
RORC P51449 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23917459 0.78 KDM4C (0.39) KDM4CHTR1DKCNH2HRH3EPHX2
SCHEMBL9592743 0.77 EPHX2 (0.44) HTR1DKCNH2EPHX2CYP11B2SMN1; SMN2
SCHEMBL13061962 0.69 PRKCI (0.44) HTR1DSMN1; SMN2
SCHEMBL17361462 0.68 KDM4C (0.52) KDM4C
SCHEMBL1095482 0.67 DDB1 (0.45) HTR1DEPHX2
SCHEMBL30681330 0.67 DRD2 (0.46) KDM4CHTR1DEPHX2
Hydrochloric Acid SCHEMBL3882894 0.66 DDB1 (0.44) HTR1DEPHX2
SCHEMBL15049805 0.65 HTR2A (0.39)
SCHEMBL19926341 0.65 KDM1A (0.35) CYP11B2
SCHEMBL17288711 0.65 ALDH1A1 (0.39)

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