SCHEMBL8105918

SCHEMBL8105918

N#CC1(NC(=O)OC2SCN(c3cccc(C(F)(F)F)c3)C2=O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ELANE P08246 4/20 0.36
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HDAC11 Q96DB2 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.34
IDH2 P48735 1/20 0.34
POLB P06746 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL8103260 0.90 FAAH (0.37) MEN1KMT2AFAAHTRPV1HDAC11
SCHEMBL8099403 0.84 MEN1 (0.38) MEN1KMT2AHDAC11
SCHEMBL8090122 0.81 MEN1 (0.39) MEN1KMT2AELANEPOLB
SCHEMBL8103463 0.81 EPHX2 (0.48) MEN1KMT2AELANE
SCHEMBL8105021 0.81 ELANE (0.41) MEN1KMT2AELANECYP2C9CYP2C8
SCHEMBL8104045 0.80 NPSR1 (0.46) MEN1KMT2ACYP2C19POLB
SCHEMBL8106103 0.79 LMNA (0.48) POLB
SCHEMBL2053916 0.79 MEN1 (0.38) MEN1KMT2APOLB
SCHEMBL8090603 0.78 LMNA (0.43) MEN1KMT2AELANECYP2C9CYP2C19
SCHEMBL8098502 0.78 LMNA (0.48) MEN1KMT2AFAAHPOLB

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed