SCHEMBL8394685

SCHEMBL8394685

CCCCCCN(C)C([NH])=S

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
DNM1 Q05193 3/20 0.48
MGLL Q99685 1/20 0.44
EPHX2 P34913 4/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
GBA1 P04062 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 3/20 0.36
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35

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
SCHEMBL9666739 0.81 DNM1 (0.52) CA12CA1CA2CA9DNM1
SCHEMBL4602906 0.79 DNM1 (0.50) CA12CA1CA2CA9DNM1
SCHEMBL23424043 0.79 DNM1 (0.50) CA12CA1CA2CA9DNM1
SCHEMBL6197655 0.79 DNM1 (0.50) CA12CA1CA2CA9DNM1
SCHEMBL8391385 0.78 CA12 (0.45) CA12CA1CA2CA9DNM1
SCHEMBL1285949 0.77 MGLL (0.48) CA12CA1CA2CA9DNM1
SCHEMBL6197648 0.77 CA12 (0.54) CA12CA1CA2CA9DNM1
SCHEMBL23388550 0.77 MGLL (0.48) CA12CA1CA2CA9DNM1
SCHEMBL24809398 0.77 CA12 (0.48) CA12CA1CA2CA9DNM1
SCHEMBL9336290 0.77 DNM1 (0.48) DNM1EPHX2S1PR2S1PR1S1PR3

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed