SCHEMBL8395773

SCHEMBL8395773

CCON(C([NH])=S)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
FAAH O00519 1/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX12 P18054 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 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
SCHEMBL10442704 0.86 HPGD (0.40) ALDH1A1FAAHPHGDHMGLLGLA
SCHEMBL8396603 0.83 MAPT (0.41) ALDH1A1TSHRL3MBTL1LMNAMAPT
SCHEMBL8395777 0.81 ALDH1A1 (0.48) ALDH1A1FAAHPHGDHMGLLGLA
SCHEMBL8392178 0.81 ALDH1A1 (0.44) ALDH1A1GLATSHRTP53LMNA
SCHEMBL8394621 0.79 FAAH (0.39) ALDH1A1FAAHPHGDHMGLLCA12
SCHEMBL5932823 0.78 ALDH1A1 (0.44) ALDH1A1GLATSHRTP53LMNA
SCHEMBL25336401 0.77 ALDH1A1 (0.47) ALDH1A1GLATSHRTP53LMNA
SCHEMBL5512049 0.77 ALDH1A1 (0.47) ALDH1A1GLATSHRTP53LMNA
SCHEMBL13603966 0.76 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53L3MBTL1
SCHEMBL5932403 0.76 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53L3MBTL1

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