SCHEMBL9854170

SCHEMBL9854170

CCc1nc(NC(=O)OCC#CI)ccc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
MAPK8 P45983 1/20 0.32
BLM P54132 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 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
SCHEMBL9821199 0.86 CHRNB2 (0.39) KMT2AALDH1A1CYP1A2TSHRMEN1
SCHEMBL9854156 0.81 SMN1; SMN2 (0.40) MAPK8ALDH1A1LMNACYP1A2TSHR
SCHEMBL27370123 0.76 GRM5 (0.41) KMT2AMAPK8LMNAMEN1KDM4E
SCHEMBL9754090 0.73 SMN1; SMN2 (0.39) KMT2AMAPK8ALDH1A1TDP1POLB
SCHEMBL9617427 0.70 CHRNB2 (0.39) ALDH1A1CYP1A2TSHRKDM4EKCNQ3
SCHEMBL677537 0.67 KMT2A (0.54) KMT2AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL9184453 0.66 SMN1; SMN2 (0.51) KMT2AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL7565469 0.65 CHRM2 (0.64) KMT2AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL1721734 0.64 MAPK8 (0.45) KMT2AL3MBTL1MAPK8ALDH1A1LMNA
SCHEMBL7567755 0.64 KMT2A (0.53) KMT2AL3MBTL1CHRM2CHRM4CHRM5

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-0430127-A2 Pyridylcarbamate compounds, process for preparing the same, and biocidal composition containing the same for controlling harmful organisms ISHIHARA SANGYO KAISHA, Ltd. (JP) 1991-06-05 EP disclosed