SCHEMBL9289735

SCHEMBL9289735

CCC(S)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MASP2 O00187 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NUDT1 P36639 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ SCN10A Q9Y5Y9 3/20 0.39
▸ BACE1 P56817 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ ABL1 P00519 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TYMS P04818 5/20 0.33
▸ F7 P08709 1/20 0.32
▸ F3 P13726 1/20 0.32

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
SCHEMBL5683519 0.79 FABP6 (0.50) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL28410658 0.78 FABP6 (0.49) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL29793642 0.78 FABP6 (0.49) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL11252685 0.75 PTGS2 (0.47) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL9290100 0.73 LMNA (0.52) ALDH1A1KMT2AMEN1ABL1KDM4E
SCHEMBL5681591 0.72 TYMS (0.52) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL5679917 0.70 FABP6 (0.47) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL4404802 0.70 FABP6 (0.47) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL726012 0.70 PLAU (0.72) FABP6ALDH1A1KMT2AMASP2MEN1
SCHEMBL129665 0.70 FABP6 (0.60) FABP6ALDH1A1KMT2AMASP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012070069-A2 A PROCESS FOR PREPARATION OF ALBENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2012-05-31 — — WO disclosed
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