SCHEMBL22018532

SCHEMBL22018532

CCn1c(SCC(N)=O)nnc1-c1ccsc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 2/20 0.57
TP53 P04637 1/20 0.53
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 3/20 0.49
ADRB2 P07550 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL22019621 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL13831464 0.81 HTT (0.62) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL22018967 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL22018971 0.81 RAB9A (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL11887664 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL22018576 0.80 SMN1; SMN2 (0.64) ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL22018976 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL22019410 0.79 SMN1; SMN2 (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL22019391 0.79 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL18559167 0.79 LMNA (0.60) ALDH1A1KDM4ESMN1; SMN2HSD17B10TP53

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-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed