SCHEMBL9360458

SCHEMBL9360458

O=P(O)(O)CC#Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL8390088 0.82 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL8386980 0.82 ALDH1A1 (0.32)
SCHEMBL8388301 0.80 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL8387829 0.80 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL9360464 0.76 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL8386982 0.76 TSHR (0.33)
SCHEMBL2893480 0.74 KCNN4 (0.36) CYP11B1CYP11B2
SCHEMBL21293520 0.74 PGK1 (0.37) CYP11B1CYP11B2PTPN1
SCHEMBL2886936 0.74 CYP11B1 (0.37) CYP11B1CYP11B2
Phosphonic Acid SCHEMBL8386985 0.71 CDK1 (0.31)

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-0625873-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1994-11-30 EP disclosed