SCHEMBL9840251

SCHEMBL9840251

COCc1nnc(SC(F)F)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 3/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL19361775 0.84 POLB (0.48) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL19369802 0.77 POLB (0.53) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL9664681 0.73 ALDH1A1 (0.39) ALDH1A1KMT2A
SCHEMBL9839006 0.72 NPC1 (0.48) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL10403103 0.70 POLB (0.46) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL10401935 0.69 POLB (0.44) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL10403874 0.69 POLB (0.44) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL10401989 0.68 TSHR (0.44) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL10403223 0.67 POLB (0.42) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL8042143 0.67 POLB (0.42) POLBSMN1; SMN2HSD17B10ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013745-A Mercapto-1,3,4-oxadiazole or thiadiazole derivatives CIBA-GEIGY CORPORATION (US) 1991-05-07 US claimed
EP-0364395-A1 Nematicides CIBA-GEIGY AG (CH) 1990-04-18 EP claimed
US-5013745-A Mercapto-1,3,4-oxadiazole or thiadiazole derivatives CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0364395-A1 Nematicides CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed