SCHEMBL4634697

SCHEMBL4634697

Cc1nc(C2CCCCC2)sc1C(=C=O)CN(C)C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
BTK Q06187 1/20 0.30
HSD17B10 Q99714 2/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5164166 0.79 RAB9A (0.37) ALDH1A1HPGDMEN1KMT2ACNR1
SCHEMBL5161599 0.74 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL2286405 0.73 TSHR (0.41) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL4762312 0.73 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL5159300 0.72 NPC1 (0.30) NPC1
SCHEMBL19936549 0.71 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL6653278 0.71 KMT2A (0.32) ALDH1A1HPGDMEN1KMT2A
SCHEMBL5159025 0.71 L3MBTL1 (0.45) ALDH1A1HPGDKMT2ATSHRNPC1
SCHEMBL18114152 0.71 ALDH1A1 (0.49) ALDH1A1HPGDKMT2ALMNABTK
SCHEMBL5165104 0.70

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-1928243-A2 THIAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007033780-A2 THIAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2007-03-29 WO disclosed