SCHEMBL7955043

SCHEMBL7955043

Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2OC2CCCC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
PDE2A O00408 16/20 0.36
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7957053 0.83 PDE2A (0.39) CDK1CDK2GSK3BPDE2AALDH1A1
SCHEMBL973762 0.80 PDE2A (0.41) PDE2A
SCHEMBL7957125 0.78 PDE2A (0.36) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL978477 0.78 KMT2A (0.36) CDK2GSK3BPDE2AALDH1A1TSHR
SCHEMBL7961969 0.78 ALDH1A1 (0.42) ALDH1A1POLBTSHRKMT2AMBOAT4
SCHEMBL6992974 0.77 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL977655 0.77 PDE2A (0.35) CDK2GSK3BPDE2AALDH1A1POLB
SCHEMBL7000273 0.77 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL6992980 0.77 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL7956818 0.77 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A

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
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US claimed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed