SCHEMBL11056872

SCHEMBL11056872

CNC(=S)N(C(=N)N)c1c(C)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.32
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL11137944 0.90 L3MBTL1 (0.36) MAPTALDH1A1LMNAL3MBTL1POLB
Hydrochloric Acid SCHEMBL11142917 0.88 L3MBTL1 (0.35) MAPTALDH1A1LMNAL3MBTL1POLB
SCHEMBL11053970 0.83 GAA (0.39) MAPTALDH1A1LMNAL3MBTL1POLB
SCHEMBL10615577 0.83 HSD17B1 (0.38) ALDH1A1ACHEHSD17B1HSD17B2POLB
SCHEMBL11142932 0.82 KMT2A (0.34) MAPTALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL11141193 0.82 GAA (0.38) MAPTALDH1A1LMNAL3MBTL1POLB
SCHEMBL11055264 0.81 ALDH1A1 (0.38) MAPTALDH1A1GAA
SCHEMBL11060096 0.77 ALDH1A1 (0.36) MAPTALDH1A1LMNAL3MBTL1GAA
Hydrochloric Acid SCHEMBL11141378 0.75 GRIN2D (0.35) MAPTALDH1A1LMNAL3MBTL1GAA
Hydrochloric Acid SCHEMBL11137243 0.75 HTT (0.35) ALDH1A1LMNAL3MBTL1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed