SCHEMBL22018553

SCHEMBL22018553

CCn1c(SCC(N)=O)nnc1-c1ccco1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.79
ALDH1A1 P00352 7/20 0.72
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
POLB P06746 2/20 0.68
TSHR P16473 3/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 2/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 2/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TP53 P04637 1/20 0.62

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
SCHEMBL4208837 0.85 ALDH1A1 (0.78) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL13831406 0.82 POLB (0.86) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL4211352 0.80 ALDH1A1 (0.78) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL4213284 0.80 MAPT (0.68) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL22018576 0.80 SMN1; SMN2 (0.64) USP2ALDH1A1POLBHSD17B10MAPT
SCHEMBL4198470 0.80 MAPT (0.69) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL15983753 0.79 ALDH1A1 (0.76) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL15986441 0.79 POLB (0.83) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL18556614 0.79 ALDH1A1 (0.77) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL18389044 0.79 ALDH1A1 (1.00) USP2ALDH1A1MEN1KMT2APOLB

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed