SCHEMBL11029202

SCHEMBL11029202

CCSN(SCC)c1nc(N(SCC)SCC)nc(N(SCC)SCC)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
CREBBP Q92793 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 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
SCHEMBL11029999 0.88 ALDH1A1 (0.33) LMNATSHRTDP1
SCHEMBL13626989 0.58
SCHEMBL1473073 0.56
SCHEMBL7932752 0.56
Hydrochloric Acid SCHEMBL2412184 0.54
SCHEMBL5388758 0.54
SCHEMBL4635113 0.53 LMNA (0.33) LMNACYP1A2THRBBLMCREBBP
SCHEMBL12039946 0.52 HSP90AA1 (0.54) LMNACYP1A2TDP1
SCHEMBL26180569 0.52 TSHR (0.36) TSHR
SCHEMBL610419 0.52

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
EP-0078784-B1 THIO-SUBSTITUTED-1,3,5-TRIAZINE-DIAMINES AND -TRIAMINES USEFUL AS PREVULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1985-07-03 EP disclosed
US-4460769-A Thio-amino-1,3,5-triazines MONSANTO COMPANY (US) 1984-07-17 US disclosed
EP-0078784-A1 Thio-substituted-1,3,5-triazine-diamines and -triamines useful as prevulcanization inhibitors MONSANTO COMPANY (US) 1983-05-11 EP disclosed
US-4380609-A Prevulcanization inhibitors of thio-triazine-amines for rubber MONSANTO COMPANY (US) 1983-04-19 US disclosed
US-4368196-A INSECTICIDES, MITICIDES, OVICIDES BASF AKTIENGESELLSCHAFT (DE) 1983-01-11 US disclosed