SCHEMBL22018916

SCHEMBL22018916

CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1cc(C(=O)O)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
USP2 O75604 2/20 0.61
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 4/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
HCRTR1 O43613 1/20 0.57
MAPT P10636 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK1 P28482 3/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL13831797 0.92 NPSR1 (0.68) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL13831693 0.85 NPSR1 (0.67) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL13831739 0.84 NPSR1 (0.65) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL15983240 0.83 NPSR1 (0.74) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL13831807 0.83 NPSR1 (0.64) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL13832249 0.81 NPSR1 (0.68) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL13739253 0.79 ALDH1A1 (0.74) ALDH1A1USP2LMNAKMT2AMEN1
SCHEMBL15983234 0.79 NPSR1 (0.66) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL13831331 0.79 NPSR1 (0.88) ALDH1A1USP2NPSR1LMNAKMT2A
SCHEMBL13832230 0.78 NPSR1 (0.64) ALDH1A1USP2NPSR1LMNAKMT2A

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