SCHEMBL20357464

SCHEMBL20357464

O=C(O)c1cccc(-c2noc(C3CCN(C(=O)CI)CC3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
CPT1A P50416 1/20 0.53

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
SCHEMBL60945 0.86 MEN1 (0.55) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL60282 0.84 CA12 (0.61) CPT1ACPT1BMEN1ALDH1A1GAA
SCHEMBL23894371 0.84 MEN1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL60197 0.82 CASP3 (0.61) CPT1ACPT1BHSD11B1GRM5
SCHEMBL59346 0.82 CASP3 (0.64) CPT1ACPT1BCYP2C9HSD11B1GRM5
SCHEMBL60252 0.81 CASP3 (0.67) MAPK1CPT1ACPT1BALDH1A1CYP2C9
SCHEMBL20116645 0.80 HTT (0.58) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL25171668 0.76 GRM5 (0.67) GRM5
SCHEMBL3241112 0.76 TUBB4A (0.69) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL20676418 0.76 LMNA (0.47) LMNAALOX15TSHRMAPK1TUBB4A

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
EP-3345895-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2018-07-11 EP disclosed