SCHEMBL8669334

SCHEMBL8669334

C=CCc1nnc(SCSC#N)s1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9058700 0.79 KMT2A (0.56) KMT2AALDH1A1TP53HPGDTSHR
SCHEMBL11258274 0.76
SCHEMBL8575765 0.71 GAA (0.47) KMT2AALDH1A1
SCHEMBL3801313 0.68
SCHEMBL7576775 0.67 ALDH1A1 (0.34) ALDH1A1HPGD
SCHEMBL8632025 0.66 SMN1; SMN2 (0.33) KMT2AALDH1A1TP53HPGDTSHR
SCHEMBL8715283 0.62
SCHEMBL11544351 0.61 TDP1 (0.39) KMT2AALDH1A1TP53HPGDTSHR
SCHEMBL11552802 0.60
SCHEMBL11328921 0.60

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
WO-1998001035-A1 THE USE OF 5-ALKYL-1,3,4-OXADIAZOL(AND THIADIAZOL)-2-THIOMETHYLTHIOCYANATES AS MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1998-01-15 WO disclosed
US-5631207-A ANTIFOULING AGENTS FOR MARINE ENVIRONMENT THE DOW CHEMICAL COMPANY (US) 1997-05-20 US disclosed