SCHEMBL9028558

SCHEMBL9028558

CN1C(=O)C(C)(C)c2cc(I)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
CASP3 P42574 1/20 0.46
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 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
SCHEMBL19657541 0.86 CASP3 (0.42) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL5539734 0.80 MEN1 (0.56) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL5539731 0.79 MEN1 (0.50) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL29267762 0.79 MEN1 (0.58) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL29891629 0.79 PDE4A (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL24201847 0.79 MEN1 (0.50) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL10381827 0.79 PKM (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL13993447 0.79 MEN1 (0.50) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL10074343 0.79 PDE4A (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL5114758 0.78 CASP3 (0.42) MEN1KMT2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 WO disclosed
EP-0462831-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1996-02-28 EP disclosed
US-5462953-A Benzoxazolyl derivatives useful as 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-10-31 US disclosed
US-5364877-A Antiinflammatory agents, antiallergens ICI PHARMA (GB) 1994-11-15 US disclosed
US-5278177-A Enzyme inhibitory IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-11 US disclosed
US-5179115-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US disclosed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed