SCHEMBL22019396

SCHEMBL22019396

C=CCn1c(SCC(N)=O)nnc1C1CC=CS1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL22019402 0.86 SMN1; SMN2 (0.46) POLBSMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL14478848 0.70 KDM4E (0.81) LMNAPOLBSMN1; SMN2GAACYP3A4
SCHEMBL19420130 0.68 L3MBTL1 (0.81) LMNASMN1; SMN2GAACYP3A4CYP2C9
SCHEMBL22019404 0.68 SMN1; SMN2 (0.34) POLBSMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL22019392 0.68 SMN1; SMN2 (0.34) POLBSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL22019395 0.67 SMN1; SMN2 (0.33) POLBSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL22018538 0.64 SMN1; SMN2 (0.46) POLBSMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL21340632 0.62 SMN1; SMN2 (0.59) LMNAPOLBSMN1; SMN2GAACYP3A4
SCHEMBL22019622 0.61 CYP2C19 (0.45) POLBSMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL22018990 0.60 SMN1; SMN2 (0.47) POLBSMN1; SMN2CYP3A4ALDH1A1KDM4E

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