SCHEMBL5728481

SCHEMBL5728481

CC(C)(C)OC(=O)Oc1cc(-c2ccccc2)sc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
GAA P10253 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
IKBKB O14920 2/20 0.48
ALOX15 P16050 8/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GRM6 O15303 1/20 0.46
ADORA1 P30542 1/20 0.46
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45

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
SCHEMBL5728563 0.85 MAPT (0.61) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL27712944 0.81 MAPT (0.56) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL5728267 0.81 ALDH1A1 (0.64) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL1799511 0.78 GAA (0.72) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL15681582 0.75 MAPT (0.52) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL9573004 0.72 FABP3 (0.47) MAPTGAAALDH1A1HPGDALOX15
SCHEMBL27821730 0.71 ELANE (0.46) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL5728244 0.71 IKBKB (0.56) MAPTGAAALDH1A1HPGDMEN1
Biphenyl SCHEMBL28089702 0.70 ELANE (0.46) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14894503 0.70 ELANE (0.47) MAPTGAAALDH1A1HPGDMEN1

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
EP-1694665-A2 SUBSTITUTED THIOPHENES AiCuris GmbH & Co. KG (DE) 2006-08-30 EP disclosed
WO-2005063734-A2 SUBSTITUTED THIOPHENES AICURIS GMBH & CO. KG (DE) 2005-07-14 WO disclosed