SCHEMBL7322148

SCHEMBL7322148

COc1cc(C(=O)O)nc(-c2csc(N)n2)c1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 11/20 0.77
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL7321910 0.88 ECE1 (0.60) ECE1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL7308033 0.87 ECE1 (1.00) ECE1KDM4ERAB9AGPR35ALOX15
SCHEMBL7317687 0.84 ECE1 (1.00) ECE1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL7323063 0.79 ECE1 (1.00) ECE1ALDH1A1KDM4EGPR35ALOX15
SCHEMBL7312652 0.78 ECE1 (1.00) ECE1
SCHEMBL7318992 0.75 ECE1 (0.79) ECE1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL7363044 0.75 ALDH1A1 (0.59) HSD17B10ALDH1A1KDM4EMEN1NPC1
SCHEMBL4196934 0.75 ECE1 (1.00) ECE1MEN1GPR35
SCHEMBL7321772 0.73 ECE1 (0.82) ECE1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL1308428 0.69 TUBB4A (0.61) ALDH1A1KDM4EMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891892-A Small molecule biaryl compounds as inhibitors of endothelin converting enzyme WARNER-LAMBERT COMPANY (US) 1999-04-06 — — US claimed
US-5891892-A Small molecule biaryl compounds as inhibitors of endothelin converting enzyme WARNER-LAMBERT COMPANY (US) 1999-04-06 — — US disclosed
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