SCHEMBL7979579

SCHEMBL7979579

CCCCCCC(C)N=C=S

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
NAAA Q02083 1/20 0.45
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL8739301 1.00 TRPA1 (0.54) TRPA1TRPV1NAAAOPRM1SPHK1
SCHEMBL6154825 0.98 TRPA1 (0.56) TRPA1TRPV1NAAAOPRM1SPHK1
SCHEMBL11422618 0.91
SCHEMBL8763286 0.84 TRPA1 (0.59) TRPA1TRPV1
SCHEMBL9282879 0.81
SCHEMBL6577575 0.80 NAAA (0.46) TRPA1TRPV1NAAAOPRM1SPHK1
SCHEMBL11507818 0.80 NAAA (0.46) TRPA1TRPV1NAAAOPRM1SPHK1
SCHEMBL7133116 0.80 NAAA (0.46) TRPA1TRPV1NAAAOPRM1SPHK1
SCHEMBL13750973 0.78 MAPT (0.41) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL17027536 0.78 MAPT (0.41) OPRM1SPHK1LMNAADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225310-B1 Fused 1,2,4-thiadiazine derivatives, their preparation and use NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
CN-1264384-A Fused 1,2,4-thiadiazine derivatives, their preparation method and use NOVO NORDISK AS (DK) 2000-08-23 CN disclosed
EP-1000066-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-17 EP disclosed
WO-1999003861-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-01-28 WO disclosed
US-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed