SCHEMBL22019419

SCHEMBL22019419

C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1C1C=CSC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.49
PTK2 Q05397 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 4/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL15983277 0.79 ALDH1A1 (0.70) POLBALDH1A1PTK2SMN1; SMN2TSHR
SCHEMBL13832001 0.79 PTK2 (0.75) POLBL3MBTL1ALDH1A1PTK2SMN1; SMN2
SCHEMBL14475633 0.78 ALDH1A1 (0.68) POLBL3MBTL1ALDH1A1PTK2SMN1; SMN2
SCHEMBL13831509 0.77 PTK2 (0.59) POLBTDP1L3MBTL1ALDH1A1PTK2
SCHEMBL13832312 0.76 PTK2 (0.58) POLBL3MBTL1ALDH1A1PTK2SMN1; SMN2
SCHEMBL13832321 0.75 ATM (0.73) POLBALDH1A1SMN1; SMN2GAACYP2C9
SCHEMBL13831075 0.75 ALDH1A1 (0.70) POLBALDH1A1PTK2TSHRTP53
SCHEMBL13831685 0.74 KMT2A (0.70) POLBL3MBTL1ALDH1A1PTK2GAA
SCHEMBL22018519 0.72 ALDH1A1 (0.62) POLBL3MBTL1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL22019619 0.72 ALDH1A1 (0.62) POLBL3MBTL1ALDH1A1SMN1; SMN2CYP3A4

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